1-phenyl-N-(2H-triazol-4-ylmethyl)methanamine;hydrochloride

C10H13ClN4 — CID 86775451

IUPAC1-phenyl-N-(2H-triazol-4-ylmethyl)methanamine;hydrochloride
SMILESCl.c1ccc(CNCc2cn[nH]n2)cc1
InChIInChI=1S/C10H12N4.ClH/c1-2-4-9(5-3-1)6-11-7-10-8-12-14-13-10;/h1-5,8,11H,6-7H2,(H,12,13,14);1H
InChIKeyHHZDPOYRDCRIRR-UHFFFAOYSA-N
MW224.70 g/mol
LogP1.52
Rot. Bonds4

About 1-phenyl-N-(2H-triazol-4-ylmethyl)methanamine;hydrochloride

1-phenyl-N-(2H-triazol-4-ylmethyl)methanamine;hydrochloride (PubChem CID 86775451) has the molecular formula C10H13ClN4 and a molecular weight of 224.70 g/mol. Its IUPAC name is 1-phenyl-N-(2H-triazol-4-ylmethyl)methanamine;hydrochloride.

Molecular Properties

Compound Name1-phenyl-N-(2H-triazol-4-ylmethyl)methanamine;hydrochloride
PubChem CID86775451
Molecular FormulaC10H13ClN4
Molecular Weight224.70 g/mol
Exact Mass224.08
IUPAC Name1-phenyl-N-(2H-triazol-4-ylmethyl)methanamine;hydrochloride
SMILESCl.c1ccc(CNCc2cn[nH]n2)cc1
InChIInChI=1S/C10H12N4.ClH/c1-2-4-9(5-3-1)6-11-7-10-8-12-14-13-10;/h1-5,8,11H,6-7H2,(H,12,13,14);1H
InChIKeyHHZDPOYRDCRIRR-UHFFFAOYSA-N
XLogP1.52
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.70
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 174862297
N-[[6-[(benzylamino)methyl]-2-pyridinyl]methyl]-1-phenylmethanamine
CID 11639693
N-benzyl-1-phenylmethanamine;hydrate
CID 173452781
N-[[4-[[4-[(benzylamino)methyl]phenyl]methyl]phenyl]methyl]-1-phenylmethanamine;dihydrochloride
CID 24837605
1-phenyl-N-[(2-phenylpyrimidin-5-yl)methyl]methanamine;hydrochloride
CID 132893916
N-benzyl-1-phenylmethanamine;dichlorotitanium
CID 174633271
N-benzyl-2H-triazole-4-carboxamide
CID 47334751
N-[(6-iodopyridazin-3-yl)methyl]-1-phenylmethanamine
CID 87465536
N-[(1-methylpyrazol-4-yl)methyl]-1-phenylmethanamine;hydrochloride
CID 126966764
N-[(5-methyl-1H-imidazol-2-yl)methyl]-1-phenylmethanamine
CID 46784169
N-benzyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 90740224
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-phenylmethanamine
CID 115586423

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-(2H-triazol-4-ylmethyl)methanamine;hydrochloride?
The IUPAC name of 1-phenyl-N-(2H-triazol-4-ylmethyl)methanamine;hydrochloride (CID 86775451) is 1-phenyl-N-(2H-triazol-4-ylmethyl)methanamine;hydrochloride.
What is the SMILES notation for 1-phenyl-N-(2H-triazol-4-ylmethyl)methanamine;hydrochloride?
The canonical SMILES for 1-phenyl-N-(2H-triazol-4-ylmethyl)methanamine;hydrochloride is Cl.c1ccc(CNCc2cn[nH]n2)cc1.
What is the InChIKey of 1-phenyl-N-(2H-triazol-4-ylmethyl)methanamine;hydrochloride?
The InChIKey is HHZDPOYRDCRIRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4.ClH/c1-2-4-9(5-3-1)6-11-7-10-8-12-14-13-10;/h1-5,8,11H,6-7H2,(H,12,13,14);1H.
What are the key properties of 1-phenyl-N-(2H-triazol-4-ylmethyl)methanamine;hydrochloride?
1-phenyl-N-(2H-triazol-4-ylmethyl)methanamine;hydrochloride has a molecular weight of 224.70 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-(2H-triazol-4-ylmethyl)methanamine;hydrochloride is sourced from PubChem (CID 86775451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).