1-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]pyrazol-4-amine

C9H12N6 — CID 62697375

IUPAC1-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]pyrazol-4-amine
SMILESNc1cnn(Cc2nncn2C2CC2)c1
InChIInChI=1S/C9H12N6/c10-7-3-12-14(4-7)5-9-13-11-6-15(9)8-1-2-8/h3-4,6,8H,1-2,5,10H2
InChIKeyMJDJVYXJMJKCTC-UHFFFAOYSA-N
MW204.24 g/mol
LogP0.44
Rot. Bonds3

About 1-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]pyrazol-4-amine

1-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]pyrazol-4-amine (PubChem CID 62697375) has the molecular formula C9H12N6 and a molecular weight of 204.24 g/mol. Its IUPAC name is 1-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]pyrazol-4-amine
PubChem CID62697375
Molecular FormulaC9H12N6
Molecular Weight204.24 g/mol
Exact Mass204.11
IUPAC Name1-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]pyrazol-4-amine
SMILESNc1cnn(Cc2nncn2C2CC2)c1
InChIInChI=1S/C9H12N6/c10-7-3-12-14(4-7)5-9-13-11-6-15(9)8-1-2-8/h3-4,6,8H,1-2,5,10H2
InChIKeyMJDJVYXJMJKCTC-UHFFFAOYSA-N
XLogP0.44
TPSA74.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.24
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4-cyclopropyl-1,2,4-triazol-3-yl)methanamine
CID 50988415
1-[(1-cyclopropylbenzimidazol-2-yl)methyl]pyrazol-4-amine
CID 61285753
1-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]cyclopropan-1-amine
CID 130987230
2-(4-cyclobutyl-1,2,4-triazol-3-yl)ethanamine
CID 83873587
1-[(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)methyl]pyrazol-4-amine
CID 62721619
1-[(2-methyl-5-propyl-1,2,4-triazol-3-yl)methyl]pyrazol-4-amine
CID 62721417
1-(4-cyclohexyl-1,2,4-triazol-3-yl)-2-methylpropan-2-amine
CID 64672693
4-cyclopropyl-3-(2-propoxyethyl)-1,2,4-triazole
CID 115394287
1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrazol-4-amine
CID 62694920
1-[(1,1-dioxothietan-3-yl)methyl]pyrazol-4-amine
CID 84670121
1-(2-cyclopropyloxyethyl)pyrazol-4-amine
CID 165480106
2-(4-aminopyrazol-1-yl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide
CID 63328749

Frequently Asked Questions

What is the IUPAC name of 1-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]pyrazol-4-amine?
The IUPAC name of 1-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]pyrazol-4-amine (CID 62697375) is 1-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]pyrazol-4-amine.
What is the SMILES notation for 1-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]pyrazol-4-amine?
The canonical SMILES for 1-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]pyrazol-4-amine is Nc1cnn(Cc2nncn2C2CC2)c1.
What is the InChIKey of 1-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]pyrazol-4-amine?
The InChIKey is MJDJVYXJMJKCTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6/c10-7-3-12-14(4-7)5-9-13-11-6-15(9)8-1-2-8/h3-4,6,8H,1-2,5,10H2.
What are the key properties of 1-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]pyrazol-4-amine?
1-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]pyrazol-4-amine has a molecular weight of 204.24 g/mol, XLogP of 0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]pyrazol-4-amine is sourced from PubChem (CID 62697375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).