N-propan-2-yl-1,4,6-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraen-3-amine

C14H20N4 — CID 143477771

IUPACN-propan-2-yl-1,4,6-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraen-3-amine
SMILESCC(C)Nc1ncnc2cc3n(c12)CCCCC3
InChIInChI=1S/C14H20N4/c1-10(2)17-14-13-12(15-9-16-14)8-11-6-4-3-5-7-18(11)13/h8-10H,3-7H2,1-2H3,(H,15,16,17)
InChIKeyGGQLWJLIKQKNCR-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.98
Rot. Bonds2

About N-propan-2-yl-1,4,6-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraen-3-amine

N-propan-2-yl-1,4,6-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraen-3-amine (PubChem CID 143477771) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is N-propan-2-yl-1,4,6-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraen-3-amine.

Molecular Properties

Compound NameN-propan-2-yl-1,4,6-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraen-3-amine
PubChem CID143477771
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC NameN-propan-2-yl-1,4,6-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraen-3-amine
SMILESCC(C)Nc1ncnc2cc3n(c12)CCCCC3
InChIInChI=1S/C14H20N4/c1-10(2)17-14-13-12(15-9-16-14)8-11-6-4-3-5-7-18(11)13/h8-10H,3-7H2,1-2H3,(H,15,16,17)
InChIKeyGGQLWJLIKQKNCR-UHFFFAOYSA-N
XLogP2.98
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-propan-2-yl-1,4,6-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraen-3-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 N-propan-2-yl-1,4,6-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraen-3-amine?
The IUPAC name of N-propan-2-yl-1,4,6-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraen-3-amine (CID 143477771) is N-propan-2-yl-1,4,6-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraen-3-amine.
What is the SMILES notation for N-propan-2-yl-1,4,6-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraen-3-amine?
The canonical SMILES for N-propan-2-yl-1,4,6-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraen-3-amine is CC(C)Nc1ncnc2cc3n(c12)CCCCC3.
What is the InChIKey of N-propan-2-yl-1,4,6-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraen-3-amine?
The InChIKey is GGQLWJLIKQKNCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-10(2)17-14-13-12(15-9-16-14)8-11-6-4-3-5-7-18(11)13/h8-10H,3-7H2,1-2H3,(H,15,16,17).
What are the key properties of N-propan-2-yl-1,4,6-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraen-3-amine?
N-propan-2-yl-1,4,6-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraen-3-amine has a molecular weight of 244.34 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-1,4,6-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraen-3-amine is sourced from PubChem (CID 143477771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).