3-[cyclopropyl-(5,6-diamino-2-pyridinyl)amino]propanenitrile

C11H15N5 — CID 79825815

IUPAC3-[cyclopropyl-(5,6-diamino-2-pyridinyl)amino]propanenitrile
SMILESN#CCCN(c1ccc(N)c(N)n1)C1CC1
InChIInChI=1S/C11H15N5/c12-6-1-7-16(8-2-3-8)10-5-4-9(13)11(14)15-10/h4-5,8H,1-3,7,13H2,(H2,14,15)
InChIKeyMKKIXXAVGRZMGQ-UHFFFAOYSA-N
MW217.28 g/mol
LogP1.13
Rot. Bonds4

About 3-[cyclopropyl-(5,6-diamino-2-pyridinyl)amino]propanenitrile

3-[cyclopropyl-(5,6-diamino-2-pyridinyl)amino]propanenitrile (PubChem CID 79825815) has the molecular formula C11H15N5 and a molecular weight of 217.28 g/mol. Its IUPAC name is 3-[cyclopropyl-(5,6-diamino-2-pyridinyl)amino]propanenitrile.

Molecular Properties

Compound Name3-[cyclopropyl-(5,6-diamino-2-pyridinyl)amino]propanenitrile
PubChem CID79825815
Molecular FormulaC11H15N5
Molecular Weight217.28 g/mol
Exact Mass217.13
IUPAC Name3-[cyclopropyl-(5,6-diamino-2-pyridinyl)amino]propanenitrile
SMILESN#CCCN(c1ccc(N)c(N)n1)C1CC1
InChIInChI=1S/C11H15N5/c12-6-1-7-16(8-2-3-8)10-5-4-9(13)11(14)15-10/h4-5,8H,1-3,7,13H2,(H2,14,15)
InChIKeyMKKIXXAVGRZMGQ-UHFFFAOYSA-N
XLogP1.13
TPSA91.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[cyclopropyl-(5,6-diamino-2-pyridinyl)amino]propanenitrile 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 3-[cyclopropyl-(5,6-diamino-2-pyridinyl)amino]propanenitrile?
The IUPAC name of 3-[cyclopropyl-(5,6-diamino-2-pyridinyl)amino]propanenitrile (CID 79825815) is 3-[cyclopropyl-(5,6-diamino-2-pyridinyl)amino]propanenitrile.
What is the SMILES notation for 3-[cyclopropyl-(5,6-diamino-2-pyridinyl)amino]propanenitrile?
The canonical SMILES for 3-[cyclopropyl-(5,6-diamino-2-pyridinyl)amino]propanenitrile is N#CCCN(c1ccc(N)c(N)n1)C1CC1.
What is the InChIKey of 3-[cyclopropyl-(5,6-diamino-2-pyridinyl)amino]propanenitrile?
The InChIKey is MKKIXXAVGRZMGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5/c12-6-1-7-16(8-2-3-8)10-5-4-9(13)11(14)15-10/h4-5,8H,1-3,7,13H2,(H2,14,15).
What are the key properties of 3-[cyclopropyl-(5,6-diamino-2-pyridinyl)amino]propanenitrile?
3-[cyclopropyl-(5,6-diamino-2-pyridinyl)amino]propanenitrile has a molecular weight of 217.28 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-(5,6-diamino-2-pyridinyl)amino]propanenitrile is sourced from PubChem (CID 79825815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).