[1-(4-chlorophenyl)triazol-4-yl]methanamine;hydrochloride

C9H10Cl2N4 — CID 178201309

IUPAC[1-(4-chlorophenyl)triazol-4-yl]methanamine;hydrochloride
SMILESCl.NCc1cn(-c2ccc(Cl)cc2)nn1
InChIInChI=1S/C9H9ClN4.ClH/c10-7-1-3-9(4-2-7)14-6-8(5-11)12-13-14;/h1-4,6H,5,11H2;1H
InChIKeyQETDTKBVMJXPCL-UHFFFAOYSA-N
MW245.11 g/mol
LogP1.80
Rot. Bonds2

About [1-(4-chlorophenyl)triazol-4-yl]methanamine;hydrochloride

[1-(4-chlorophenyl)triazol-4-yl]methanamine;hydrochloride (PubChem CID 178201309) has the molecular formula C9H10Cl2N4 and a molecular weight of 245.11 g/mol. Its IUPAC name is [1-(4-chlorophenyl)triazol-4-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-(4-chlorophenyl)triazol-4-yl]methanamine;hydrochloride
PubChem CID178201309
Molecular FormulaC9H10Cl2N4
Molecular Weight245.11 g/mol
Exact Mass244.03
IUPAC Name[1-(4-chlorophenyl)triazol-4-yl]methanamine;hydrochloride
SMILESCl.NCc1cn(-c2ccc(Cl)cc2)nn1
InChIInChI=1S/C9H9ClN4.ClH/c10-7-1-3-9(4-2-7)14-6-8(5-11)12-13-14;/h1-4,6H,5,11H2;1H
InChIKeyQETDTKBVMJXPCL-UHFFFAOYSA-N
XLogP1.80
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.11
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(4-pyrrolidin-1-ylphenyl)triazol-4-yl]methanamine
CID 82199614
[1-(4-piperidin-1-ylphenyl)triazol-4-yl]methanamine
CID 82199434
1-[1-(4-chlorophenyl)triazol-4-yl]propan-2-one
CID 117167684
bis(1-[1-(3,4-dichlorophenyl)triazol-4-yl]-N,N-dimethylmethanamine);[1-(3,4-dichlorophenyl)triazol-4-yl]methanamine;hydrochloride
CID 161372896
N-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66205851
2-[[1-(4-chlorophenyl)triazol-4-yl]methylsulfanyl]-1,3,4-thiadiazole
CID 71858539
1-(4-chlorophenyl)-4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]triazole
CID 58044377
[1-(4-butoxyphenyl)triazol-4-yl]methanamine
CID 82200486
[1-[4-(4-methylpiperidin-1-yl)phenyl]triazol-4-yl]methanamine
CID 82199390
1-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120774498
2-[[1-(4-chlorophenyl)triazol-4-yl]methoxy]-5-methylpyrimidine
CID 130302319
[1-(4-but-3-en-1-ynylphenyl)triazol-4-yl]methanamine
CID 129168097

Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)triazol-4-yl]methanamine;hydrochloride?
The IUPAC name of [1-(4-chlorophenyl)triazol-4-yl]methanamine;hydrochloride (CID 178201309) is [1-(4-chlorophenyl)triazol-4-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-(4-chlorophenyl)triazol-4-yl]methanamine;hydrochloride?
The canonical SMILES for [1-(4-chlorophenyl)triazol-4-yl]methanamine;hydrochloride is Cl.NCc1cn(-c2ccc(Cl)cc2)nn1.
What is the InChIKey of [1-(4-chlorophenyl)triazol-4-yl]methanamine;hydrochloride?
The InChIKey is QETDTKBVMJXPCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN4.ClH/c10-7-1-3-9(4-2-7)14-6-8(5-11)12-13-14;/h1-4,6H,5,11H2;1H.
What are the key properties of [1-(4-chlorophenyl)triazol-4-yl]methanamine;hydrochloride?
[1-(4-chlorophenyl)triazol-4-yl]methanamine;hydrochloride has a molecular weight of 245.11 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorophenyl)triazol-4-yl]methanamine;hydrochloride is sourced from PubChem (CID 178201309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).