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

C3H5ClN4 — CID 14221624

IUPAC5-chloro-1-methyl-1,2,4-triazol-3-amine
SMILESCn1nc(N)nc1Cl
InChIInChI=1S/C3H5ClN4/c1-8-2(4)6-3(5)7-8/h1H3,(H2,5,7)
InChIKeyYPVSHERVUKNWKP-UHFFFAOYSA-N
MW132.55 g/mol
LogP0.05
Rot. Bonds

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

5-chloro-1-methyl-1,2,4-triazol-3-amine (PubChem CID 14221624) has the molecular formula C3H5ClN4 and a molecular weight of 132.55 g/mol. Its IUPAC name is 5-chloro-1-methyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-chloro-1-methyl-1,2,4-triazol-3-amine
PubChem CID14221624
Molecular FormulaC3H5ClN4
Molecular Weight132.55 g/mol
Exact Mass132.02
IUPAC Name5-chloro-1-methyl-1,2,4-triazol-3-amine
SMILESCn1nc(N)nc1Cl
InChIInChI=1S/C3H5ClN4/c1-8-2(4)6-3(5)7-8/h1H3,(H2,5,7)
InChIKeyYPVSHERVUKNWKP-UHFFFAOYSA-N
XLogP0.05
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.55
LogP ≤ 50.05
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
1H-1,2,4-Triazole-1-carboximidamide
CID 445106
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
1,2,4-Triazole-Carboxamidine
CID 3387240
3-chloro-1-methyl-1H-1,2,4-triazol-5-amine
CID 14221617
1H-1,2,4-Triazol-5-amine, 3-chloro-1-methyl-, hydrochloride (1:1)
CID 75530994
5-Amino-1,4-dimethyltetrazolium chloride
CID 129764507
1-(Difluoromethyl)-1,2,4-triazole-3,5-diamine
CID 162716552

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-methyl-1,2,4-triazol-3-amine?
The IUPAC name of 5-chloro-1-methyl-1,2,4-triazol-3-amine (CID 14221624) is 5-chloro-1-methyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-chloro-1-methyl-1,2,4-triazol-3-amine?
The canonical SMILES for 5-chloro-1-methyl-1,2,4-triazol-3-amine is Cn1nc(N)nc1Cl.
What is the InChIKey of 5-chloro-1-methyl-1,2,4-triazol-3-amine?
The InChIKey is YPVSHERVUKNWKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5ClN4/c1-8-2(4)6-3(5)7-8/h1H3,(H2,5,7).
What are the key properties of 5-chloro-1-methyl-1,2,4-triazol-3-amine?
5-chloro-1-methyl-1,2,4-triazol-3-amine has a molecular weight of 132.55 g/mol, XLogP of 0.05, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-methyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 14221624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).