1-[2-amino-3-(4,5-diaminopyrazol-1-yl)propyl]pyrazole-4,5-diamine

C9H17N9 — CID 12066362

IUPAC1-[2-amino-3-(4,5-diaminopyrazol-1-yl)propyl]pyrazole-4,5-diamine
SMILESNc1cnn(CC(N)Cn2ncc(N)c2N)c1N
InChIInChI=1S/C9H17N9/c10-5(3-17-8(13)6(11)1-15-17)4-18-9(14)7(12)2-16-18/h1-2,5H,3-4,10-14H2
InChIKeyFSUJJLCTDUJLQG-UHFFFAOYSA-N
MW251.30 g/mol
LogP-1.56
Rot. Bonds4

About 1-[2-amino-3-(4,5-diaminopyrazol-1-yl)propyl]pyrazole-4,5-diamine

1-[2-amino-3-(4,5-diaminopyrazol-1-yl)propyl]pyrazole-4,5-diamine (PubChem CID 12066362) has the molecular formula C9H17N9 and a molecular weight of 251.30 g/mol. Its IUPAC name is 1-[2-amino-3-(4,5-diaminopyrazol-1-yl)propyl]pyrazole-4,5-diamine.

Molecular Properties

Compound Name1-[2-amino-3-(4,5-diaminopyrazol-1-yl)propyl]pyrazole-4,5-diamine
PubChem CID12066362
Molecular FormulaC9H17N9
Molecular Weight251.30 g/mol
Exact Mass251.16
IUPAC Name1-[2-amino-3-(4,5-diaminopyrazol-1-yl)propyl]pyrazole-4,5-diamine
SMILESNc1cnn(CC(N)Cn2ncc(N)c2N)c1N
InChIInChI=1S/C9H17N9/c10-5(3-17-8(13)6(11)1-15-17)4-18-9(14)7(12)2-16-18/h1-2,5H,3-4,10-14H2
InChIKeyFSUJJLCTDUJLQG-UHFFFAOYSA-N
XLogP-1.56
TPSA165.74 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 5-1.56
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Analyze 1-[2-amino-3-(4,5-diaminopyrazol-1-yl)propyl]pyrazole-4,5-diamine 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 1-[2-amino-3-(4,5-diaminopyrazol-1-yl)propyl]pyrazole-4,5-diamine?
The IUPAC name of 1-[2-amino-3-(4,5-diaminopyrazol-1-yl)propyl]pyrazole-4,5-diamine (CID 12066362) is 1-[2-amino-3-(4,5-diaminopyrazol-1-yl)propyl]pyrazole-4,5-diamine.
What is the SMILES notation for 1-[2-amino-3-(4,5-diaminopyrazol-1-yl)propyl]pyrazole-4,5-diamine?
The canonical SMILES for 1-[2-amino-3-(4,5-diaminopyrazol-1-yl)propyl]pyrazole-4,5-diamine is Nc1cnn(CC(N)Cn2ncc(N)c2N)c1N.
What is the InChIKey of 1-[2-amino-3-(4,5-diaminopyrazol-1-yl)propyl]pyrazole-4,5-diamine?
The InChIKey is FSUJJLCTDUJLQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N9/c10-5(3-17-8(13)6(11)1-15-17)4-18-9(14)7(12)2-16-18/h1-2,5H,3-4,10-14H2.
What are the key properties of 1-[2-amino-3-(4,5-diaminopyrazol-1-yl)propyl]pyrazole-4,5-diamine?
1-[2-amino-3-(4,5-diaminopyrazol-1-yl)propyl]pyrazole-4,5-diamine has a molecular weight of 251.30 g/mol, XLogP of -1.56, 4 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-3-(4,5-diaminopyrazol-1-yl)propyl]pyrazole-4,5-diamine is sourced from PubChem (CID 12066362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).