4-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-1H-pyrazol-5-amine

C10H14N6 — CID 61337776

IUPAC4-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-1H-pyrazol-5-amine
SMILESNc1[nH]ncc1-c1n[nH]c(C2CCCC2)n1
InChIInChI=1S/C10H14N6/c11-8-7(5-12-14-8)10-13-9(15-16-10)6-3-1-2-4-6/h5-6H,1-4H2,(H3,11,12,14)(H,13,15,16)
InChIKeyAUHIXLDDVALUAB-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.43
Rot. Bonds2

About 4-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-1H-pyrazol-5-amine

4-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-1H-pyrazol-5-amine (PubChem CID 61337776) has the molecular formula C10H14N6 and a molecular weight of 218.26 g/mol. Its IUPAC name is 4-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-1H-pyrazol-5-amine
PubChem CID61337776
Molecular FormulaC10H14N6
Molecular Weight218.26 g/mol
Exact Mass218.13
IUPAC Name4-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-1H-pyrazol-5-amine
SMILESNc1[nH]ncc1-c1n[nH]c(C2CCCC2)n1
InChIInChI=1S/C10H14N6/c11-8-7(5-12-14-8)10-13-9(15-16-10)6-3-1-2-4-6/h5-6H,1-4H2,(H3,11,12,14)(H,13,15,16)
InChIKeyAUHIXLDDVALUAB-UHFFFAOYSA-N
XLogP1.43
TPSA96.27 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-1H-pyrazol-5-amine?
The IUPAC name of 4-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-1H-pyrazol-5-amine (CID 61337776) is 4-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-1H-pyrazol-5-amine.
What is the SMILES notation for 4-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-1H-pyrazol-5-amine?
The canonical SMILES for 4-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-1H-pyrazol-5-amine is Nc1[nH]ncc1-c1n[nH]c(C2CCCC2)n1.
What is the InChIKey of 4-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-1H-pyrazol-5-amine?
The InChIKey is AUHIXLDDVALUAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6/c11-8-7(5-12-14-8)10-13-9(15-16-10)6-3-1-2-4-6/h5-6H,1-4H2,(H3,11,12,14)(H,13,15,16).
What are the key properties of 4-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-1H-pyrazol-5-amine?
4-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-1H-pyrazol-5-amine has a molecular weight of 218.26 g/mol, XLogP of 1.43, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-1H-pyrazol-5-amine is sourced from PubChem (CID 61337776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).