1-[1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]triazol-4-yl]ethanamine

C10H15ClN6 — CID 114419886

IUPAC1-[1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]triazol-4-yl]ethanamine
SMILESCc1nn(C)c(Cn2cc(C(C)N)nn2)c1Cl
InChIInChI=1S/C10H15ClN6/c1-6(12)8-4-17(15-13-8)5-9-10(11)7(2)14-16(9)3/h4,6H,5,12H2,1-3H3
InChIKeyQSOTVEYPEXUNQS-UHFFFAOYSA-N
MW254.72 g/mol
LogP1.04
Rot. Bonds3

About 1-[1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]triazol-4-yl]ethanamine

1-[1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]triazol-4-yl]ethanamine (PubChem CID 114419886) has the molecular formula C10H15ClN6 and a molecular weight of 254.72 g/mol. Its IUPAC name is 1-[1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]triazol-4-yl]ethanamine.

Molecular Properties

Compound Name1-[1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]triazol-4-yl]ethanamine
PubChem CID114419886
Molecular FormulaC10H15ClN6
Molecular Weight254.72 g/mol
Exact Mass254.10
IUPAC Name1-[1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]triazol-4-yl]ethanamine
SMILESCc1nn(C)c(Cn2cc(C(C)N)nn2)c1Cl
InChIInChI=1S/C10H15ClN6/c1-6(12)8-4-17(15-13-8)5-9-10(11)7(2)14-16(9)3/h4,6H,5,12H2,1-3H3
InChIKeyQSOTVEYPEXUNQS-UHFFFAOYSA-N
XLogP1.04
TPSA74.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]triazol-4-yl]propan-1-amine
CID 106220784
1-[1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]triazol-4-yl]propan-1-amine
CID 106227837
4-[1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]triazol-4-yl]butan-1-amine
CID 104539356
1-[1-[(4-chlorophenyl)methyl]triazol-4-yl]ethanamine
CID 114419662
1-[1-[(4-methylphenyl)methyl]triazol-4-yl]ethanamine
CID 114419617
4-[[4-(1-aminoethyl)triazol-1-yl]methyl]phenol
CID 114419757
1-[1-(2-aminoethyl)triazol-4-yl]ethanamine
CID 114419716
5-[1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]triazol-4-yl]pentanoic acid
CID 104538802
1-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]triazol-4-yl]butan-1-amine
CID 106229223
1-[1-[(1-methylindazol-3-yl)methyl]triazol-4-yl]ethanamine
CID 114419762
1-[1-[(3-chlorophenyl)methyl]triazol-4-yl]ethanamine
CID 114419923
3-[4-(1-aminoethyl)triazol-1-yl]propan-1-amine
CID 114419828

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]triazol-4-yl]ethanamine?
The IUPAC name of 1-[1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]triazol-4-yl]ethanamine (CID 114419886) is 1-[1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]triazol-4-yl]ethanamine.
What is the SMILES notation for 1-[1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]triazol-4-yl]ethanamine?
The canonical SMILES for 1-[1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]triazol-4-yl]ethanamine is Cc1nn(C)c(Cn2cc(C(C)N)nn2)c1Cl.
What is the InChIKey of 1-[1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]triazol-4-yl]ethanamine?
The InChIKey is QSOTVEYPEXUNQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN6/c1-6(12)8-4-17(15-13-8)5-9-10(11)7(2)14-16(9)3/h4,6H,5,12H2,1-3H3.
What are the key properties of 1-[1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]triazol-4-yl]ethanamine?
1-[1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]triazol-4-yl]ethanamine has a molecular weight of 254.72 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]triazol-4-yl]ethanamine is sourced from PubChem (CID 114419886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).