5-[(1-benzyltriazol-4-yl)methyl]-1H-imidazol-2-amine;hydrochloride

C13H15ClN6 — CID 67064307

IUPAC5-[(1-benzyltriazol-4-yl)methyl]-1H-imidazol-2-amine;hydrochloride
SMILESCl.Nc1ncc(Cc2cn(Cc3ccccc3)nn2)[nH]1
InChIInChI=1S/C13H14N6.ClH/c14-13-15-7-11(16-13)6-12-9-19(18-17-12)8-10-4-2-1-3-5-10;/h1-5,7,9H,6,8H2,(H3,14,15,16);1H
InChIKeyVALMJQTTXHKQDV-UHFFFAOYSA-N
MW290.76 g/mol
LogP1.64
Rot. Bonds4

About 5-[(1-benzyltriazol-4-yl)methyl]-1H-imidazol-2-amine;hydrochloride

5-[(1-benzyltriazol-4-yl)methyl]-1H-imidazol-2-amine;hydrochloride (PubChem CID 67064307) has the molecular formula C13H15ClN6 and a molecular weight of 290.76 g/mol. Its IUPAC name is 5-[(1-benzyltriazol-4-yl)methyl]-1H-imidazol-2-amine;hydrochloride.

Molecular Properties

Compound Name5-[(1-benzyltriazol-4-yl)methyl]-1H-imidazol-2-amine;hydrochloride
PubChem CID67064307
Molecular FormulaC13H15ClN6
Molecular Weight290.76 g/mol
Exact Mass290.10
IUPAC Name5-[(1-benzyltriazol-4-yl)methyl]-1H-imidazol-2-amine;hydrochloride
SMILESCl.Nc1ncc(Cc2cn(Cc3ccccc3)nn2)[nH]1
InChIInChI=1S/C13H14N6.ClH/c14-13-15-7-11(16-13)6-12-9-19(18-17-12)8-10-4-2-1-3-5-10;/h1-5,7,9H,6,8H2,(H3,14,15,16);1H
InChIKeyVALMJQTTXHKQDV-UHFFFAOYSA-N
XLogP1.64
TPSA85.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.76
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(1-benzyltriazol-4-yl)methyl]-1H-imidazol-2-amine;hydrochloride?
The IUPAC name of 5-[(1-benzyltriazol-4-yl)methyl]-1H-imidazol-2-amine;hydrochloride (CID 67064307) is 5-[(1-benzyltriazol-4-yl)methyl]-1H-imidazol-2-amine;hydrochloride.
What is the SMILES notation for 5-[(1-benzyltriazol-4-yl)methyl]-1H-imidazol-2-amine;hydrochloride?
The canonical SMILES for 5-[(1-benzyltriazol-4-yl)methyl]-1H-imidazol-2-amine;hydrochloride is Cl.Nc1ncc(Cc2cn(Cc3ccccc3)nn2)[nH]1.
What is the InChIKey of 5-[(1-benzyltriazol-4-yl)methyl]-1H-imidazol-2-amine;hydrochloride?
The InChIKey is VALMJQTTXHKQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6.ClH/c14-13-15-7-11(16-13)6-12-9-19(18-17-12)8-10-4-2-1-3-5-10;/h1-5,7,9H,6,8H2,(H3,14,15,16);1H.
What are the key properties of 5-[(1-benzyltriazol-4-yl)methyl]-1H-imidazol-2-amine;hydrochloride?
5-[(1-benzyltriazol-4-yl)methyl]-1H-imidazol-2-amine;hydrochloride has a molecular weight of 290.76 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-benzyltriazol-4-yl)methyl]-1H-imidazol-2-amine;hydrochloride is sourced from PubChem (CID 67064307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).