1-[3-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propyl]pyrazol-3-amine

C14H20N6S — CID 63311425

IUPAC1-[3-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propyl]pyrazol-3-amine
SMILESNc1ccn(CCCSc2nnc(C3CC3)n2C2CC2)n1
InChIInChI=1S/C14H20N6S/c15-12-6-8-19(18-12)7-1-9-21-14-17-16-13(10-2-3-10)20(14)11-4-5-11/h6,8,10-11H,1-5,7,9H2,(H2,15,18)
InChIKeyRHBDSYNTZRBUBW-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.45
Rot. Bonds7

About 1-[3-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propyl]pyrazol-3-amine

1-[3-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propyl]pyrazol-3-amine (PubChem CID 63311425) has the molecular formula C14H20N6S and a molecular weight of 304.42 g/mol. Its IUPAC name is 1-[3-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propyl]pyrazol-3-amine.

Molecular Properties

Compound Name1-[3-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propyl]pyrazol-3-amine
PubChem CID63311425
Molecular FormulaC14H20N6S
Molecular Weight304.42 g/mol
Exact Mass304.15
IUPAC Name1-[3-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propyl]pyrazol-3-amine
SMILESNc1ccn(CCCSc2nnc(C3CC3)n2C2CC2)n1
InChIInChI=1S/C14H20N6S/c15-12-6-8-19(18-12)7-1-9-21-14-17-16-13(10-2-3-10)20(14)11-4-5-11/h6,8,10-11H,1-5,7,9H2,(H2,15,18)
InChIKeyRHBDSYNTZRBUBW-UHFFFAOYSA-N
XLogP2.45
TPSA74.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-[3-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propyl]pyrazol-3-amine?
The IUPAC name of 1-[3-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propyl]pyrazol-3-amine (CID 63311425) is 1-[3-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propyl]pyrazol-3-amine.
What is the SMILES notation for 1-[3-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propyl]pyrazol-3-amine?
The canonical SMILES for 1-[3-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propyl]pyrazol-3-amine is Nc1ccn(CCCSc2nnc(C3CC3)n2C2CC2)n1.
What is the InChIKey of 1-[3-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propyl]pyrazol-3-amine?
The InChIKey is RHBDSYNTZRBUBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6S/c15-12-6-8-19(18-12)7-1-9-21-14-17-16-13(10-2-3-10)20(14)11-4-5-11/h6,8,10-11H,1-5,7,9H2,(H2,15,18).
What are the key properties of 1-[3-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propyl]pyrazol-3-amine?
1-[3-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propyl]pyrazol-3-amine has a molecular weight of 304.42 g/mol, XLogP of 2.45, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propyl]pyrazol-3-amine is sourced from PubChem (CID 63311425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).