[4-(4-methylphenyl)-1,2,4-triazol-3-yl]methanamine;hydrochloride

C10H13ClN4 — CID 139034447

IUPAC[4-(4-methylphenyl)-1,2,4-triazol-3-yl]methanamine;hydrochloride
SMILESCc1ccc(-n2cnnc2CN)cc1.Cl
InChIInChI=1S/C10H12N4.ClH/c1-8-2-4-9(5-3-8)14-7-12-13-10(14)6-11;/h2-5,7H,6,11H2,1H3;1H
InChIKeyIADNZPNFUQDKLL-UHFFFAOYSA-N
MW224.70 g/mol
LogP1.46
Rot. Bonds2

About [4-(4-methylphenyl)-1,2,4-triazol-3-yl]methanamine;hydrochloride

[4-(4-methylphenyl)-1,2,4-triazol-3-yl]methanamine;hydrochloride (PubChem CID 139034447) has the molecular formula C10H13ClN4 and a molecular weight of 224.70 g/mol. Its IUPAC name is [4-(4-methylphenyl)-1,2,4-triazol-3-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[4-(4-methylphenyl)-1,2,4-triazol-3-yl]methanamine;hydrochloride
PubChem CID139034447
Molecular FormulaC10H13ClN4
Molecular Weight224.70 g/mol
Exact Mass224.08
IUPAC Name[4-(4-methylphenyl)-1,2,4-triazol-3-yl]methanamine;hydrochloride
SMILESCc1ccc(-n2cnnc2CN)cc1.Cl
InChIInChI=1S/C10H12N4.ClH/c1-8-2-4-9(5-3-8)14-7-12-13-10(14)6-11;/h2-5,7H,6,11H2,1H3;1H
InChIKeyIADNZPNFUQDKLL-UHFFFAOYSA-N
XLogP1.46
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.70
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-phenyl-1,2,4-triazol-3-yl)methanamine;dihydrochloride
CID 71779094
N-methyl-1-[4-(4-methylphenyl)-1,2,4-triazol-3-yl]methanamine;dihydrochloride
CID 72716180
[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]methanamine
CID 82396636
2-[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]ethanamine
CID 56706277
2-[4-(4-bromophenyl)-1,2,4-triazol-3-yl]ethanamine
CID 82487209
4-[3-(2-aminoethyl)-1,2,4-triazol-4-yl]-N,N-diethylaniline
CID 98016995
[5-methyl-2-(4-methylphenyl)-1,2,4-triazol-3-yl]methanamine
CID 82469703
4-(4-methylphenyl)-3-(trifluoromethyl)-1,2,4-triazole
CID 141415330
5-(3-ethyl-1,2,4-triazol-4-yl)-2-methylaniline
CID 82512361
4-(4-methylphenyl)-1,2,4-triazole-3-carboxylic acid
CID 83881402
2-methyl-3-(4-phenyl-1,2,4-triazol-3-yl)propan-1-amine
CID 81071078
(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methanamine
CID 62043689

Frequently Asked Questions

What is the IUPAC name of [4-(4-methylphenyl)-1,2,4-triazol-3-yl]methanamine;hydrochloride?
The IUPAC name of [4-(4-methylphenyl)-1,2,4-triazol-3-yl]methanamine;hydrochloride (CID 139034447) is [4-(4-methylphenyl)-1,2,4-triazol-3-yl]methanamine;hydrochloride.
What is the SMILES notation for [4-(4-methylphenyl)-1,2,4-triazol-3-yl]methanamine;hydrochloride?
The canonical SMILES for [4-(4-methylphenyl)-1,2,4-triazol-3-yl]methanamine;hydrochloride is Cc1ccc(-n2cnnc2CN)cc1.Cl.
What is the InChIKey of [4-(4-methylphenyl)-1,2,4-triazol-3-yl]methanamine;hydrochloride?
The InChIKey is IADNZPNFUQDKLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4.ClH/c1-8-2-4-9(5-3-8)14-7-12-13-10(14)6-11;/h2-5,7H,6,11H2,1H3;1H.
What are the key properties of [4-(4-methylphenyl)-1,2,4-triazol-3-yl]methanamine;hydrochloride?
[4-(4-methylphenyl)-1,2,4-triazol-3-yl]methanamine;hydrochloride has a molecular weight of 224.70 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methylphenyl)-1,2,4-triazol-3-yl]methanamine;hydrochloride is sourced from PubChem (CID 139034447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).