1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-5-cyclopropyltriazol-4-amine

C11H15ClN6 — CID 79547581

IUPAC1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-5-cyclopropyltriazol-4-amine
SMILESCc1nn(C)c(Cn2nnc(N)c2C2CC2)c1Cl
InChIInChI=1S/C11H15ClN6/c1-6-9(12)8(17(2)15-6)5-18-10(7-3-4-7)11(13)14-16-18/h7H,3-5,13H2,1-2H3
InChIKeyYLEZEVFKGHNZEE-UHFFFAOYSA-N
MW266.74 g/mol
LogP1.48
Rot. Bonds3

About 1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-5-cyclopropyltriazol-4-amine

1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-5-cyclopropyltriazol-4-amine (PubChem CID 79547581) has the molecular formula C11H15ClN6 and a molecular weight of 266.74 g/mol. Its IUPAC name is 1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-5-cyclopropyltriazol-4-amine.

Molecular Properties

Compound Name1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-5-cyclopropyltriazol-4-amine
PubChem CID79547581
Molecular FormulaC11H15ClN6
Molecular Weight266.74 g/mol
Exact Mass266.10
IUPAC Name1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-5-cyclopropyltriazol-4-amine
SMILESCc1nn(C)c(Cn2nnc(N)c2C2CC2)c1Cl
InChIInChI=1S/C11H15ClN6/c1-6-9(12)8(17(2)15-6)5-18-10(7-3-4-7)11(13)14-16-18/h7H,3-5,13H2,1-2H3
InChIKeyYLEZEVFKGHNZEE-UHFFFAOYSA-N
XLogP1.48
TPSA74.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.74
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-cyclopropyl-1-(pyridin-4-ylmethyl)triazol-4-amine
CID 79547309
5-cyclopropyl-1-(4-methylpentyl)triazol-4-amine
CID 83163296
5-cyclopropyl-1-[(5-ethylthiophen-2-yl)methyl]triazol-4-amine
CID 79548372
5-cyclopropyl-1-(2-propoxyethyl)triazol-4-amine
CID 106459893
5-cyclohexyl-1-methyltriazol-4-amine
CID 105439082
O-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]hydroxylamine
CID 79427033
1-(cyclobutylmethyl)-5-cyclopropyltriazol-4-amine
CID 79547670
methyl 1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-5-ethyltriazole-4-carboxylate
CID 103105891
5-cyclopropyl-1-[(1-ethylindazol-3-yl)methyl]triazol-4-amine
CID 79537391
6-chloro-3-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-2-cyclopropylpyrimidin-4-one
CID 114584507
1-[2-(4-chlorophenoxy)ethyl]-5-cyclopropyltriazol-4-amine
CID 79548359
5-cyclopropyl-1,4-dimethyltriazole
CID 126758944

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-5-cyclopropyltriazol-4-amine?
The IUPAC name of 1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-5-cyclopropyltriazol-4-amine (CID 79547581) is 1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-5-cyclopropyltriazol-4-amine.
What is the SMILES notation for 1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-5-cyclopropyltriazol-4-amine?
The canonical SMILES for 1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-5-cyclopropyltriazol-4-amine is Cc1nn(C)c(Cn2nnc(N)c2C2CC2)c1Cl.
What is the InChIKey of 1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-5-cyclopropyltriazol-4-amine?
The InChIKey is YLEZEVFKGHNZEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN6/c1-6-9(12)8(17(2)15-6)5-18-10(7-3-4-7)11(13)14-16-18/h7H,3-5,13H2,1-2H3.
What are the key properties of 1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-5-cyclopropyltriazol-4-amine?
1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-5-cyclopropyltriazol-4-amine has a molecular weight of 266.74 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-5-cyclopropyltriazol-4-amine is sourced from PubChem (CID 79547581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).