1-[2-[2-(4,5-diaminopyrazol-1-yl)ethylamino]ethyl]pyrazole-4,5-diamine

C10H19N9 — CID 12066363

IUPAC1-[2-[2-(4,5-diaminopyrazol-1-yl)ethylamino]ethyl]pyrazole-4,5-diamine
SMILESNc1cnn(CCNCCn2ncc(N)c2N)c1N
InChIInChI=1S/C10H19N9/c11-7-5-16-18(9(7)13)3-1-15-2-4-19-10(14)8(12)6-17-19/h5-6,15H,1-4,11-14H2
InChIKeyLSECZSPAEWXGNX-UHFFFAOYSA-N
MW265.32 g/mol
LogP-1.30
Rot. Bonds6

About 1-[2-[2-(4,5-diaminopyrazol-1-yl)ethylamino]ethyl]pyrazole-4,5-diamine

1-[2-[2-(4,5-diaminopyrazol-1-yl)ethylamino]ethyl]pyrazole-4,5-diamine (PubChem CID 12066363) has the molecular formula C10H19N9 and a molecular weight of 265.32 g/mol. Its IUPAC name is 1-[2-[2-(4,5-diaminopyrazol-1-yl)ethylamino]ethyl]pyrazole-4,5-diamine.

Molecular Properties

Compound Name1-[2-[2-(4,5-diaminopyrazol-1-yl)ethylamino]ethyl]pyrazole-4,5-diamine
PubChem CID12066363
Molecular FormulaC10H19N9
Molecular Weight265.32 g/mol
Exact Mass265.18
IUPAC Name1-[2-[2-(4,5-diaminopyrazol-1-yl)ethylamino]ethyl]pyrazole-4,5-diamine
SMILESNc1cnn(CCNCCn2ncc(N)c2N)c1N
InChIInChI=1S/C10H19N9/c11-7-5-16-18(9(7)13)3-1-15-2-4-19-10(14)8(12)6-17-19/h5-6,15H,1-4,11-14H2
InChIKeyLSECZSPAEWXGNX-UHFFFAOYSA-N
XLogP-1.30
TPSA151.75 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 5-1.30
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(4,5-diaminopyrazol-1-yl)ethylamino]ethyl]pyrazole-4,5-diamine?
The IUPAC name of 1-[2-[2-(4,5-diaminopyrazol-1-yl)ethylamino]ethyl]pyrazole-4,5-diamine (CID 12066363) is 1-[2-[2-(4,5-diaminopyrazol-1-yl)ethylamino]ethyl]pyrazole-4,5-diamine.
What is the SMILES notation for 1-[2-[2-(4,5-diaminopyrazol-1-yl)ethylamino]ethyl]pyrazole-4,5-diamine?
The canonical SMILES for 1-[2-[2-(4,5-diaminopyrazol-1-yl)ethylamino]ethyl]pyrazole-4,5-diamine is Nc1cnn(CCNCCn2ncc(N)c2N)c1N.
What is the InChIKey of 1-[2-[2-(4,5-diaminopyrazol-1-yl)ethylamino]ethyl]pyrazole-4,5-diamine?
The InChIKey is LSECZSPAEWXGNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N9/c11-7-5-16-18(9(7)13)3-1-15-2-4-19-10(14)8(12)6-17-19/h5-6,15H,1-4,11-14H2.
What are the key properties of 1-[2-[2-(4,5-diaminopyrazol-1-yl)ethylamino]ethyl]pyrazole-4,5-diamine?
1-[2-[2-(4,5-diaminopyrazol-1-yl)ethylamino]ethyl]pyrazole-4,5-diamine has a molecular weight of 265.32 g/mol, XLogP of -1.30, 6 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(4,5-diaminopyrazol-1-yl)ethylamino]ethyl]pyrazole-4,5-diamine is sourced from PubChem (CID 12066363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).