13-methanimidoyl-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7,13-trien-14-amine

C12H17N5 — CID 155731945

IUPAC13-methanimidoyl-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7,13-trien-14-amine
SMILES[H]/N=C/C1=C(N)c2c3c(nn2CCC1)CCNC3
InChIInChI=1S/C12H17N5/c13-6-8-2-1-5-17-12(11(8)14)9-7-15-4-3-10(9)16-17/h6,13,15H,1-5,7,14H2/b13-6+
InChIKeyAXSCCNVHJDSFIW-AWNIVKPZSA-N
MW231.30 g/mol
LogP0.64
Rot. Bonds1

About 13-methanimidoyl-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7,13-trien-14-amine

13-methanimidoyl-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7,13-trien-14-amine (PubChem CID 155731945) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is 13-methanimidoyl-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7,13-trien-14-amine.

Molecular Properties

Compound Name13-methanimidoyl-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7,13-trien-14-amine
PubChem CID155731945
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Name13-methanimidoyl-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7,13-trien-14-amine
SMILES[H]/N=C/C1=C(N)c2c3c(nn2CCC1)CCNC3
InChIInChI=1S/C12H17N5/c13-6-8-2-1-5-17-12(11(8)14)9-7-15-4-3-10(9)16-17/h6,13,15H,1-5,7,14H2/b13-6+
InChIKeyAXSCCNVHJDSFIW-AWNIVKPZSA-N
XLogP0.64
TPSA79.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

14-Fluoro-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7,13-triene
CID 155352887
(5R)-14-fluoro-5-methyl-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7,13-triene
CID 155359500
3-[1,5-Dimethyl-3-(trifluoromethyl)pyrazol-4-yl]-2-methyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine
CID 156863535
4-Fluoro-2-methyl-3-propan-2-yl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine
CID 171531391
N,N-dimethyl-3-[3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]propan-1-amine
CID 82587033
N-[(1-ethyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)methyl]-N,N-dimethylamine
CID 53019667
1,3,4,6-Tetramethyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine
CID 22966462
1,2,3,4,7,8,9,10-Octahydropyrazino[1,2-b]indazole
CID 45099676
3-Butan-2-yl-2-ethyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 71055610
1-Cyclopentyl-3-ethyl-6-piperazin-1-yl-6,7-dihydroindazole
CID 71273026
1,3-dimethyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
CID 82586427
3-Methyl-1-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine
CID 82586429

Frequently Asked Questions

What is the IUPAC name of 13-methanimidoyl-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7,13-trien-14-amine?
The IUPAC name of 13-methanimidoyl-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7,13-trien-14-amine (CID 155731945) is 13-methanimidoyl-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7,13-trien-14-amine.
What is the SMILES notation for 13-methanimidoyl-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7,13-trien-14-amine?
The canonical SMILES for 13-methanimidoyl-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7,13-trien-14-amine is [H]/N=C/C1=C(N)c2c3c(nn2CCC1)CCNC3.
What is the InChIKey of 13-methanimidoyl-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7,13-trien-14-amine?
The InChIKey is AXSCCNVHJDSFIW-AWNIVKPZSA-N. The full InChI is InChI=1S/C12H17N5/c13-6-8-2-1-5-17-12(11(8)14)9-7-15-4-3-10(9)16-17/h6,13,15H,1-5,7,14H2/b13-6+.
What are the key properties of 13-methanimidoyl-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7,13-trien-14-amine?
13-methanimidoyl-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7,13-trien-14-amine has a molecular weight of 231.30 g/mol, XLogP of 0.64, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 13-methanimidoyl-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7,13-trien-14-amine is sourced from PubChem (CID 155731945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).