1-(7-methyl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-yl)propan-2-ol

C11H15N5O — CID 12666106

IUPAC1-(7-methyl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-yl)propan-2-ol
SMILESCc1nc2ncnn2c2c1CCN2CC(C)O
InChIInChI=1S/C11H15N5O/c1-7(17)5-15-4-3-9-8(2)14-11-12-6-13-16(11)10(9)15/h6-7,17H,3-5H2,1-2H3
InChIKeyUMDUCNFTLXWYAA-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.18
Rot. Bonds2

About 1-(7-methyl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-yl)propan-2-ol

1-(7-methyl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-yl)propan-2-ol (PubChem CID 12666106) has the molecular formula C11H15N5O and a molecular weight of 233.27 g/mol. Its IUPAC name is 1-(7-methyl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-yl)propan-2-ol.

Molecular Properties

Compound Name1-(7-methyl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-yl)propan-2-ol
PubChem CID12666106
Molecular FormulaC11H15N5O
Molecular Weight233.27 g/mol
Exact Mass233.13
IUPAC Name1-(7-methyl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-yl)propan-2-ol
SMILESCc1nc2ncnn2c2c1CCN2CC(C)O
InChIInChI=1S/C11H15N5O/c1-7(17)5-15-4-3-9-8(2)14-11-12-6-13-16(11)10(9)15/h6-7,17H,3-5H2,1-2H3
InChIKeyUMDUCNFTLXWYAA-UHFFFAOYSA-N
XLogP0.18
TPSA66.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(7-methyl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-yl)propan-2-ol?
The IUPAC name of 1-(7-methyl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-yl)propan-2-ol (CID 12666106) is 1-(7-methyl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-yl)propan-2-ol.
What is the SMILES notation for 1-(7-methyl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-yl)propan-2-ol?
The canonical SMILES for 1-(7-methyl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-yl)propan-2-ol is Cc1nc2ncnn2c2c1CCN2CC(C)O.
What is the InChIKey of 1-(7-methyl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-yl)propan-2-ol?
The InChIKey is UMDUCNFTLXWYAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c1-7(17)5-15-4-3-9-8(2)14-11-12-6-13-16(11)10(9)15/h6-7,17H,3-5H2,1-2H3.
What are the key properties of 1-(7-methyl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-yl)propan-2-ol?
1-(7-methyl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-yl)propan-2-ol has a molecular weight of 233.27 g/mol, XLogP of 0.18, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-methyl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-yl)propan-2-ol is sourced from PubChem (CID 12666106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).