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

C17H15N7 — CID 142717079

IUPACN-(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
SMILESc1cc2c(cn1)[nH]c1nc(Nc3ccc4c(n3)CNCC4)ncc12
InChIInChI=1S/C17H15N7/c1-2-15(21-13-8-18-5-3-10(1)13)23-17-20-7-12-11-4-6-19-9-14(11)22-16(12)24-17/h1-2,4,6-7,9,18H,3,5,8H2,(H2,20,21,22,23,24)
InChIKeyPSBUPFFBGAPDPH-UHFFFAOYSA-N
MW317.36 g/mol
LogP2.29
Rot. Bonds2

About 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

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 (PubChem CID 142717079) has the molecular formula C17H15N7 and a molecular weight of 317.36 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID142717079
Molecular FormulaC17H15N7
Molecular Weight317.36 g/mol
Exact Mass317.14
IUPAC NameN-(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
SMILESc1cc2c(cn1)[nH]c1nc(Nc3ccc4c(n3)CNCC4)ncc12
InChIInChI=1S/C17H15N7/c1-2-15(21-13-8-18-5-3-10(1)13)23-17-20-7-12-11-4-6-19-9-14(11)22-16(12)24-17/h1-2,4,6-7,9,18H,3,5,8H2,(H2,20,21,22,23,24)
InChIKeyPSBUPFFBGAPDPH-UHFFFAOYSA-N
XLogP2.29
TPSA91.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

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
4,10,11-triazatricyclo[6.2.1.02,7]undeca-1(10),2(7),3,5,8-pentaene
CID 90787556
N-(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine
CID 170324271
N-[4-(imidazol-1-ylmethyl)phenyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine
CID 170324799
11-chloro-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 122446298
N-(2-methylsulfonyl-4-pyridinyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine
CID 170324596
N-[4-(4-methylpiperazin-1-yl)phenyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine
CID 170324513
N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine
CID 170324062
methanamine;1,2,3,4-tetrahydro-2,6-naphthyridine;5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 166149360
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-N-cyclopropyl-2-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)pyrimidine-2,4,5-triamine
CID 156831460
1-(1H-pyrazol-5-yl)-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)-2H-pyrazolo[3,4-d]pyrimidin-3-one
CID 175886097

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1cc2c(cn1)[nH]c1nc(Nc3ccc4c(n3)CNCC4)ncc12.
What is the InChIKey of 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?
The InChIKey is PSBUPFFBGAPDPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N7/c1-2-15(21-13-8-18-5-3-10(1)13)23-17-20-7-12-11-4-6-19-9-14(11)22-16(12)24-17/h1-2,4,6-7,9,18H,3,5,8H2,(H2,20,21,22,23,24).
What are the key properties of 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?
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 has a molecular weight of 317.36 g/mol, XLogP of 2.29, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 142717079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).