5-chloro-2-methyl-1,2,4-triazol-3-amine;hydrochloride

C3H6Cl2N4 — CID 75530994

IUPAC5-chloro-2-methyl-1,2,4-triazol-3-amine;hydrochloride
SMILESCl.Cn1nc(Cl)nc1N
InChIInChI=1S/C3H5ClN4.ClH/c1-8-3(5)6-2(4)7-8;/h1H3,(H2,5,6,7);1H
InChIKeyYOQNRXMLTVAJDB-UHFFFAOYSA-N
MW169.02 g/mol
LogP0.47
Rot. Bonds

About 5-chloro-2-methyl-1,2,4-triazol-3-amine;hydrochloride

5-chloro-2-methyl-1,2,4-triazol-3-amine;hydrochloride (PubChem CID 75530994) has the molecular formula C3H6Cl2N4 and a molecular weight of 169.02 g/mol. Its IUPAC name is 5-chloro-2-methyl-1,2,4-triazol-3-amine;hydrochloride.

Molecular Properties

Compound Name5-chloro-2-methyl-1,2,4-triazol-3-amine;hydrochloride
PubChem CID75530994
Molecular FormulaC3H6Cl2N4
Molecular Weight169.02 g/mol
Exact Mass168.00
IUPAC Name5-chloro-2-methyl-1,2,4-triazol-3-amine;hydrochloride
SMILESCl.Cn1nc(Cl)nc1N
InChIInChI=1S/C3H5ClN4.ClH/c1-8-3(5)6-2(4)7-8;/h1H3,(H2,5,6,7);1H
InChIKeyYOQNRXMLTVAJDB-UHFFFAOYSA-N
XLogP0.47
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.02
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-1H-1,2,4-triazol-5-amine
CID 566597
1H-1,2,4-triazole-1-carboximidamide hydrochloride
CID 16218515
1-Methyl-1H-1,2,4-triazol-3-amine
CID 566503
1-methyl-1H-1,2,4-triazole-3,5-diamine
CID 421615
3-bromo-1-methyl-1H-1,2,4-triazol-5-amine
CID 127239989
3,5-dichloro-1-methyl-1H-1,2,4-triazole
CID 56776522
3-chloro-1-methyl-1H-1,2,4-triazol-5-amine
CID 14221617
5-chloro-1-methyl-1H-1,2,4-triazol-3-amine
CID 14221624
[Amino(1,2,4-triazol-1-yl)methylidene]azanium chloride
CID 11571826
N5,N5,1-Trimethyl-1H-1,2,4-triazole-3,5-diamine
CID 12957667
1-Methyl-1,2,4-triazol-4-ium-3,4,5-triamine
CID 101461462
3H-[1,2,4]triazolo[4,3-b][1,2,4]triazole-3,6-diamine
CID 3661784

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methyl-1,2,4-triazol-3-amine;hydrochloride?
The IUPAC name of 5-chloro-2-methyl-1,2,4-triazol-3-amine;hydrochloride (CID 75530994) is 5-chloro-2-methyl-1,2,4-triazol-3-amine;hydrochloride.
What is the SMILES notation for 5-chloro-2-methyl-1,2,4-triazol-3-amine;hydrochloride?
The canonical SMILES for 5-chloro-2-methyl-1,2,4-triazol-3-amine;hydrochloride is Cl.Cn1nc(Cl)nc1N.
What is the InChIKey of 5-chloro-2-methyl-1,2,4-triazol-3-amine;hydrochloride?
The InChIKey is YOQNRXMLTVAJDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5ClN4.ClH/c1-8-3(5)6-2(4)7-8;/h1H3,(H2,5,6,7);1H.
What are the key properties of 5-chloro-2-methyl-1,2,4-triazol-3-amine;hydrochloride?
5-chloro-2-methyl-1,2,4-triazol-3-amine;hydrochloride has a molecular weight of 169.02 g/mol, XLogP of 0.47, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methyl-1,2,4-triazol-3-amine;hydrochloride is sourced from PubChem (CID 75530994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).