2-chloro-5-(1H-1,2,4-triazol-5-yl)-1H-imidazol-4-amine;hydrochloride

C5H6Cl2N6 — CID 135539725

IUPAC2-chloro-5-(1H-1,2,4-triazol-5-yl)-1H-imidazol-4-amine;hydrochloride
SMILESCl.Nc1nc(Cl)[nH]c1-c1ncn[nH]1
InChIInChI=1S/C5H5ClN6.ClH/c6-5-10-2(3(7)11-5)4-8-1-9-12-4;/h1H,7H2,(H,10,11)(H,8,9,12);1H
InChIKeyYZGSALIELFQSEH-UHFFFAOYSA-N
MW221.05 g/mol
LogP0.85
Rot. Bonds1

About 2-chloro-5-(1H-1,2,4-triazol-5-yl)-1H-imidazol-4-amine;hydrochloride

2-chloro-5-(1H-1,2,4-triazol-5-yl)-1H-imidazol-4-amine;hydrochloride (PubChem CID 135539725) has the molecular formula C5H6Cl2N6 and a molecular weight of 221.05 g/mol. Its IUPAC name is 2-chloro-5-(1H-1,2,4-triazol-5-yl)-1H-imidazol-4-amine;hydrochloride.

Molecular Properties

Compound Name2-chloro-5-(1H-1,2,4-triazol-5-yl)-1H-imidazol-4-amine;hydrochloride
PubChem CID135539725
Molecular FormulaC5H6Cl2N6
Molecular Weight221.05 g/mol
Exact Mass220.00
IUPAC Name2-chloro-5-(1H-1,2,4-triazol-5-yl)-1H-imidazol-4-amine;hydrochloride
SMILESCl.Nc1nc(Cl)[nH]c1-c1ncn[nH]1
InChIInChI=1S/C5H5ClN6.ClH/c6-5-10-2(3(7)11-5)4-8-1-9-12-4;/h1H,7H2,(H,10,11)(H,8,9,12);1H
InChIKeyYZGSALIELFQSEH-UHFFFAOYSA-N
XLogP0.85
TPSA96.27 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.05
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(1H-1,2,4-triazol-5-yl)-1H-imidazol-4-amine;hydrochloride?
The IUPAC name of 2-chloro-5-(1H-1,2,4-triazol-5-yl)-1H-imidazol-4-amine;hydrochloride (CID 135539725) is 2-chloro-5-(1H-1,2,4-triazol-5-yl)-1H-imidazol-4-amine;hydrochloride.
What is the SMILES notation for 2-chloro-5-(1H-1,2,4-triazol-5-yl)-1H-imidazol-4-amine;hydrochloride?
The canonical SMILES for 2-chloro-5-(1H-1,2,4-triazol-5-yl)-1H-imidazol-4-amine;hydrochloride is Cl.Nc1nc(Cl)[nH]c1-c1ncn[nH]1.
What is the InChIKey of 2-chloro-5-(1H-1,2,4-triazol-5-yl)-1H-imidazol-4-amine;hydrochloride?
The InChIKey is YZGSALIELFQSEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5ClN6.ClH/c6-5-10-2(3(7)11-5)4-8-1-9-12-4;/h1H,7H2,(H,10,11)(H,8,9,12);1H.
What are the key properties of 2-chloro-5-(1H-1,2,4-triazol-5-yl)-1H-imidazol-4-amine;hydrochloride?
2-chloro-5-(1H-1,2,4-triazol-5-yl)-1H-imidazol-4-amine;hydrochloride has a molecular weight of 221.05 g/mol, XLogP of 0.85, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(1H-1,2,4-triazol-5-yl)-1H-imidazol-4-amine;hydrochloride is sourced from PubChem (CID 135539725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).