3-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine

C17H15N7 — CID 154227096

IUPAC3-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine
SMILESNc1nc(-c2ccc3c(n2)CCNC3)c2c(n1)[nH]c1cnccc12
InChIInChI=1S/C17H15N7/c18-17-23-15(12-2-1-9-7-19-6-4-11(9)21-12)14-10-3-5-20-8-13(10)22-16(14)24-17/h1-3,5,8,19H,4,6-7H2,(H3,18,22,23,24)
InChIKeyORSTZVZSPGRIFS-UHFFFAOYSA-N
MW317.36 g/mol
LogP1.80
Rot. Bonds1

About 3-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine

3-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine (PubChem CID 154227096) has the molecular formula C17H15N7 and a molecular weight of 317.36 g/mol. Its IUPAC name is 3-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine.

Molecular Properties

Compound Name3-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine
PubChem CID154227096
Molecular FormulaC17H15N7
Molecular Weight317.36 g/mol
Exact Mass317.14
IUPAC Name3-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine
SMILESNc1nc(-c2ccc3c(n2)CCNC3)c2c(n1)[nH]c1cnccc12
InChIInChI=1S/C17H15N7/c18-17-23-15(12-2-1-9-7-19-6-4-11(9)21-12)14-10-3-5-20-8-13(10)22-16(14)24-17/h1-3,5,8,19H,4,6-7H2,(H3,18,22,23,24)
InChIKeyORSTZVZSPGRIFS-UHFFFAOYSA-N
XLogP1.80
TPSA105.40 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine with MolForge

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Related Compounds

2-(4-chlorophenyl)-5,6,7,8-tetrahydro-1,6-naphthyridine
CID 91117667
N-(5,6,7,8-tetrahydro-1,7-naphthyridin-2-yl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine
CID 142717079
6,9-diazapentacyclo[9.8.2.214,17.02,10.03,8]tricosa-1,3(8),4,6,10,14,16,20,22-nonaene
CID 170459366
4-(4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-3-yl)morpholine
CID 59447962
methanamine;1,2,3,4-tetrahydro-2,6-naphthyridine;5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 166149360
2-pyrimidin-4-yl-1H-pyrrolo[2,3-c]pyridin-3-amine
CID 170687412
11-chloro-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 122446298
5-ethyl-4-(1H-pyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-amine
CID 69243263
4,10,11-triazatricyclo[6.2.1.02,7]undeca-1(10),2(7),3,5,8-pentaene
CID 90787556
5,7-dimethyl-9H-pyrido[3,4-b]indole
CID 22566324
methyl 3-amino-1H-pyrrolo[2,3-c]pyridine-2-carboxylate
CID 46942072
4-methyl-4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene
CID 68757376

Frequently Asked Questions

What is the IUPAC name of 3-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine?
The IUPAC name of 3-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine (CID 154227096) is 3-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine.
What is the SMILES notation for 3-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine?
The canonical SMILES for 3-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine is Nc1nc(-c2ccc3c(n2)CCNC3)c2c(n1)[nH]c1cnccc12.
What is the InChIKey of 3-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine?
The InChIKey is ORSTZVZSPGRIFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N7/c18-17-23-15(12-2-1-9-7-19-6-4-11(9)21-12)14-10-3-5-20-8-13(10)22-16(14)24-17/h1-3,5,8,19H,4,6-7H2,(H3,18,22,23,24).
What are the key properties of 3-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine?
3-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine has a molecular weight of 317.36 g/mol, XLogP of 1.80, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine is sourced from PubChem (CID 154227096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).