4-(furan-2-yl)-10-[2-[6-(2H-tetrazol-5-yl)-3-pyridinyl]ethyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine

C18H14N12O — CID 146271132

IUPAC4-(furan-2-yl)-10-[2-[6-(2H-tetrazol-5-yl)-3-pyridinyl]ethyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine
SMILESNc1nc2c(cnn2CCc2ccc(-c3nn[nH]n3)nc2)c2nc(-c3ccco3)nn12
InChIInChI=1S/C18H14N12O/c19-18-23-16-11(17-22-15(26-30(17)18)13-2-1-7-31-13)9-21-29(16)6-5-10-3-4-12(20-8-10)14-24-27-28-25-14/h1-4,7-9H,5-6H2,(H2,19,23)(H,24,25,27,28)
InChIKeyCHWZAVXHTIFOET-UHFFFAOYSA-N
MW414.39 g/mol
LogP1.13
Rot. Bonds5

About 4-(furan-2-yl)-10-[2-[6-(2H-tetrazol-5-yl)-3-pyridinyl]ethyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine

4-(furan-2-yl)-10-[2-[6-(2H-tetrazol-5-yl)-3-pyridinyl]ethyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine (PubChem CID 146271132) has the molecular formula C18H14N12O and a molecular weight of 414.39 g/mol. Its IUPAC name is 4-(furan-2-yl)-10-[2-[6-(2H-tetrazol-5-yl)-3-pyridinyl]ethyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine.

Molecular Properties

Compound Name4-(furan-2-yl)-10-[2-[6-(2H-tetrazol-5-yl)-3-pyridinyl]ethyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine
PubChem CID146271132
Molecular FormulaC18H14N12O
Molecular Weight414.39 g/mol
Exact Mass414.14
IUPAC Name4-(furan-2-yl)-10-[2-[6-(2H-tetrazol-5-yl)-3-pyridinyl]ethyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine
SMILESNc1nc2c(cnn2CCc2ccc(-c3nn[nH]n3)nc2)c2nc(-c3ccco3)nn12
InChIInChI=1S/C18H14N12O/c19-18-23-16-11(17-22-15(26-30(17)18)13-2-1-7-31-13)9-21-29(16)6-5-10-3-4-12(20-8-10)14-24-27-28-25-14/h1-4,7-9H,5-6H2,(H2,19,23)(H,24,25,27,28)
InChIKeyCHWZAVXHTIFOET-UHFFFAOYSA-N
XLogP1.13
TPSA167.41 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.39
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze 4-(furan-2-yl)-10-[2-[6-(2H-tetrazol-5-yl)-3-pyridinyl]ethyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-10-[2-[6-(2H-tetrazol-5-yl)-3-pyridinyl]ethyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine?
The IUPAC name of 4-(furan-2-yl)-10-[2-[6-(2H-tetrazol-5-yl)-3-pyridinyl]ethyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine (CID 146271132) is 4-(furan-2-yl)-10-[2-[6-(2H-tetrazol-5-yl)-3-pyridinyl]ethyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine.
What is the SMILES notation for 4-(furan-2-yl)-10-[2-[6-(2H-tetrazol-5-yl)-3-pyridinyl]ethyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine?
The canonical SMILES for 4-(furan-2-yl)-10-[2-[6-(2H-tetrazol-5-yl)-3-pyridinyl]ethyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine is Nc1nc2c(cnn2CCc2ccc(-c3nn[nH]n3)nc2)c2nc(-c3ccco3)nn12.
What is the InChIKey of 4-(furan-2-yl)-10-[2-[6-(2H-tetrazol-5-yl)-3-pyridinyl]ethyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine?
The InChIKey is CHWZAVXHTIFOET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N12O/c19-18-23-16-11(17-22-15(26-30(17)18)13-2-1-7-31-13)9-21-29(16)6-5-10-3-4-12(20-8-10)14-24-27-28-25-14/h1-4,7-9H,5-6H2,(H2,19,23)(H,24,25,27,28).
What are the key properties of 4-(furan-2-yl)-10-[2-[6-(2H-tetrazol-5-yl)-3-pyridinyl]ethyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine?
4-(furan-2-yl)-10-[2-[6-(2H-tetrazol-5-yl)-3-pyridinyl]ethyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine has a molecular weight of 414.39 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-10-[2-[6-(2H-tetrazol-5-yl)-3-pyridinyl]ethyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine is sourced from PubChem (CID 146271132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).