3-(3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)bicyclo[2.2.0]hexan-1-amine

C14H15N5 — CID 166936156

IUPAC3-(3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)bicyclo[2.2.0]hexan-1-amine
SMILESNC12CCC1C(n1cnc3cnc4[nH]ccc4c31)C2
InChIInChI=1S/C14H15N5/c15-14-3-1-9(14)11(5-14)19-7-18-10-6-17-13-8(12(10)19)2-4-16-13/h2,4,6-7,9,11H,1,3,5,15H2,(H,16,17)
InChIKeyWOVUVFABACSMRQ-UHFFFAOYSA-N
MW253.31 g/mol
LogP1.96
Rot. Bonds1

About 3-(3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)bicyclo[2.2.0]hexan-1-amine

3-(3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)bicyclo[2.2.0]hexan-1-amine (PubChem CID 166936156) has the molecular formula C14H15N5 and a molecular weight of 253.31 g/mol. Its IUPAC name is 3-(3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)bicyclo[2.2.0]hexan-1-amine.

Molecular Properties

Compound Name3-(3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)bicyclo[2.2.0]hexan-1-amine
PubChem CID166936156
Molecular FormulaC14H15N5
Molecular Weight253.31 g/mol
Exact Mass253.13
IUPAC Name3-(3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)bicyclo[2.2.0]hexan-1-amine
SMILESNC12CCC1C(n1cnc3cnc4[nH]ccc4c31)C2
InChIInChI=1S/C14H15N5/c15-14-3-1-9(14)11(5-14)19-7-18-10-6-17-13-8(12(10)19)2-4-16-13/h2,4,6-7,9,11H,1,3,5,15H2,(H,16,17)
InChIKeyWOVUVFABACSMRQ-UHFFFAOYSA-N
XLogP1.96
TPSA72.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)bicyclo[2.2.0]hexan-1-amine with MolForge

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Related Compounds

3-(1-cyclopropylsulfonylpiperidin-4-yl)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene
CID 58395032
cis-(1R,3S)-3-(3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)cyclohexan-1-ol
CID 91665635
3-[1-(pyrimidin-5-ylmethyl)piperidin-4-yl]-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene
CID 58394751
3-[1-(2-methoxyethyl)piperidin-4-yl]-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene
CID 58394616
3-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene
CID 58394819
3-[1-(oxetan-3-yl)piperidin-3-yl]-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene
CID 58395098
2-[3-[4-(3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)piperidin-1-yl]oxetan-3-yl]acetonitrile
CID 58395244
3-(1-benzylazetidin-3-yl)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene
CID 58394456
N-propan-2-yl-4-(3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)cyclohexane-1-carboxamide
CID 58395435
1-benzyl-4-(3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)piperidin-2-one
CID 58395330
1-[(3R)-3-(3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)piperidine-1-carbonyl]cyclobutane-1-carbonitrile
CID 58394644
N-(2-methoxyethyl)-3-(3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)cyclopentan-1-amine
CID 67353139

Frequently Asked Questions

What is the IUPAC name of 3-(3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)bicyclo[2.2.0]hexan-1-amine?
The IUPAC name of 3-(3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)bicyclo[2.2.0]hexan-1-amine (CID 166936156) is 3-(3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)bicyclo[2.2.0]hexan-1-amine.
What is the SMILES notation for 3-(3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)bicyclo[2.2.0]hexan-1-amine?
The canonical SMILES for 3-(3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)bicyclo[2.2.0]hexan-1-amine is NC12CCC1C(n1cnc3cnc4[nH]ccc4c31)C2.
What is the InChIKey of 3-(3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)bicyclo[2.2.0]hexan-1-amine?
The InChIKey is WOVUVFABACSMRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5/c15-14-3-1-9(14)11(5-14)19-7-18-10-6-17-13-8(12(10)19)2-4-16-13/h2,4,6-7,9,11H,1,3,5,15H2,(H,16,17).
What are the key properties of 3-(3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)bicyclo[2.2.0]hexan-1-amine?
3-(3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)bicyclo[2.2.0]hexan-1-amine has a molecular weight of 253.31 g/mol, XLogP of 1.96, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)bicyclo[2.2.0]hexan-1-amine is sourced from PubChem (CID 166936156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).