1-(6-amino-10-ethyl-11-methyl-12-oxa-2,3,5,7,9-pentazatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-9-yl)-2-methylpropan-2-ol

C14H22N6O2 — CID 178106815

IUPAC1-(6-amino-10-ethyl-11-methyl-12-oxa-2,3,5,7,9-pentazatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-9-yl)-2-methylpropan-2-ol
SMILESCCC1C(C)Oc2n[nH]c3nc(N)nc(c23)N1CC(C)(C)O
InChIInChI=1S/C14H22N6O2/c1-5-8-7(2)22-12-9-10(18-19-12)16-13(15)17-11(9)20(8)6-14(3,4)21/h7-8,21H,5-6H2,1-4H3,(H3,15,16,17,18,19)
InChIKeyQWYDOWOWBUWIDP-UHFFFAOYSA-N
MW306.37 g/mol
LogP1.07
Rot. Bonds3

About 1-(6-amino-10-ethyl-11-methyl-12-oxa-2,3,5,7,9-pentazatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-9-yl)-2-methylpropan-2-ol

1-(6-amino-10-ethyl-11-methyl-12-oxa-2,3,5,7,9-pentazatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-9-yl)-2-methylpropan-2-ol (PubChem CID 178106815) has the molecular formula C14H22N6O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 1-(6-amino-10-ethyl-11-methyl-12-oxa-2,3,5,7,9-pentazatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-9-yl)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(6-amino-10-ethyl-11-methyl-12-oxa-2,3,5,7,9-pentazatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-9-yl)-2-methylpropan-2-ol
PubChem CID178106815
Molecular FormulaC14H22N6O2
Molecular Weight306.37 g/mol
Exact Mass306.18
IUPAC Name1-(6-amino-10-ethyl-11-methyl-12-oxa-2,3,5,7,9-pentazatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-9-yl)-2-methylpropan-2-ol
SMILESCCC1C(C)Oc2n[nH]c3nc(N)nc(c23)N1CC(C)(C)O
InChIInChI=1S/C14H22N6O2/c1-5-8-7(2)22-12-9-10(18-19-12)16-13(15)17-11(9)20(8)6-14(3,4)21/h7-8,21H,5-6H2,1-4H3,(H3,15,16,17,18,19)
InChIKeyQWYDOWOWBUWIDP-UHFFFAOYSA-N
XLogP1.07
TPSA113.18 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 1-(6-amino-10-ethyl-11-methyl-12-oxa-2,3,5,7,9-pentazatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-9-yl)-2-methylpropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

10-(Difluoromethyl)-9-methyl-12-oxa-2,3,5,7,9-pentazatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-6-amine
CID 178104782
10-(Difluoromethyl)-6,9-dimethyl-12-oxa-2,3,5,7,9-pentazatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraene
CID 178104824
9-Fluoro-12-oxa-2,3,5,7,9-pentazatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-6-amine
CID 178104947
Ethane;15-methyl-9-oxa-2,11,12,14,16-pentazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(16),10,13(17),14-tetraen-4-ol
CID 178044325
4,15-Dimethyl-9-oxa-2,11,12,14,16-pentazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(16),10,13(17),14-tetraene;ethane
CID 178044441
4,15-Dimethyl-9-oxa-2,11,12,14,16-pentazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(16),10,13(17),14-tetraen-4-ol;ethane
CID 178044822
ethane;1-(3-methoxy-6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-ol
CID 178044829
(4S)-4,15-dimethyl-9-oxa-2,11,12,14,16-pentazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(16),10,13(17),14-tetraen-4-ol;ethane
CID 178044882
15-Amino-4,8-dimethyl-9-oxa-2,11,14,16-tetraza-12-azanidatetracyclo[8.6.1.02,7.013,17]heptadeca-1(16),10,13(17),14-tetraen-4-ol;rhenium
CID 178104727
15-Amino-4,8-dimethyl-9-oxa-2,11,12,14,16-pentazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(16),10,13(17),14-tetraen-4-ol
CID 178104728
15-Amino-4-methyl-9-oxa-2,11,14,16-tetraza-12-azanidatetracyclo[8.6.1.02,7.013,17]heptadeca-1(16),10,13(17),14-tetraen-4-ol;rhenium
CID 178104743
15-Amino-4-methyl-9-oxa-2,11,12,14,16-pentazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(16),10,13(17),14-tetraen-4-ol
CID 178104744

Frequently Asked Questions

What is the IUPAC name of 1-(6-amino-10-ethyl-11-methyl-12-oxa-2,3,5,7,9-pentazatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-9-yl)-2-methylpropan-2-ol?
The IUPAC name of 1-(6-amino-10-ethyl-11-methyl-12-oxa-2,3,5,7,9-pentazatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-9-yl)-2-methylpropan-2-ol (CID 178106815) is 1-(6-amino-10-ethyl-11-methyl-12-oxa-2,3,5,7,9-pentazatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-9-yl)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(6-amino-10-ethyl-11-methyl-12-oxa-2,3,5,7,9-pentazatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-9-yl)-2-methylpropan-2-ol?
The canonical SMILES for 1-(6-amino-10-ethyl-11-methyl-12-oxa-2,3,5,7,9-pentazatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-9-yl)-2-methylpropan-2-ol is CCC1C(C)Oc2n[nH]c3nc(N)nc(c23)N1CC(C)(C)O.
What is the InChIKey of 1-(6-amino-10-ethyl-11-methyl-12-oxa-2,3,5,7,9-pentazatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-9-yl)-2-methylpropan-2-ol?
The InChIKey is QWYDOWOWBUWIDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6O2/c1-5-8-7(2)22-12-9-10(18-19-12)16-13(15)17-11(9)20(8)6-14(3,4)21/h7-8,21H,5-6H2,1-4H3,(H3,15,16,17,18,19).
What are the key properties of 1-(6-amino-10-ethyl-11-methyl-12-oxa-2,3,5,7,9-pentazatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-9-yl)-2-methylpropan-2-ol?
1-(6-amino-10-ethyl-11-methyl-12-oxa-2,3,5,7,9-pentazatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-9-yl)-2-methylpropan-2-ol has a molecular weight of 306.37 g/mol, XLogP of 1.07, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-amino-10-ethyl-11-methyl-12-oxa-2,3,5,7,9-pentazatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-9-yl)-2-methylpropan-2-ol is sourced from PubChem (CID 178106815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).