4-chloro-1,5-dimethyltriazole

C4H6ClN3 — CID 69384820

IUPAC4-chloro-1,5-dimethyltriazole
SMILESCc1c(Cl)nnn1C
InChIInChI=1S/C4H6ClN3/c1-3-4(5)6-7-8(3)2/h1-2H3
InChIKeySQDKJTDJFDVYJM-UHFFFAOYSA-N
MW131.57 g/mol
LogP0.78
Rot. Bonds

About 4-chloro-1,5-dimethyltriazole

4-chloro-1,5-dimethyltriazole (PubChem CID 69384820) has the molecular formula C4H6ClN3 and a molecular weight of 131.57 g/mol. Its IUPAC name is 4-chloro-1,5-dimethyltriazole.

Molecular Properties

Compound Name4-chloro-1,5-dimethyltriazole
PubChem CID69384820
Molecular FormulaC4H6ClN3
Molecular Weight131.57 g/mol
Exact Mass131.03
IUPAC Name4-chloro-1,5-dimethyltriazole
SMILESCc1c(Cl)nnn1C
InChIInChI=1S/C4H6ClN3/c1-3-4(5)6-7-8(3)2/h1-2H3
InChIKeySQDKJTDJFDVYJM-UHFFFAOYSA-N
XLogP0.78
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.57
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Chloro-1-ethyl-5-(trifluoromethyl)triazole
CID 69381745
4-Chloro-1-methyl-5-(trifluoromethyl)triazole
CID 69381908
1-Butyl-4-chloro-5-(trifluoromethyl)triazole
CID 69385774
4-Chloro-1-propyl-5-(trifluoromethyl)triazole
CID 69385856
4-Chloro-1-propan-2-yl-5-(trifluoromethyl)triazole
CID 69388656
5-Chloro-1-(2,2-difluoroethyl)-4-methyltriazole
CID 178823455
5-Chloro-3-methyltriazole-4-carbonitrile
CID 14089981
5-Chloro-1,4-dimethyl-1H-1,2,3-triazole
CID 57879638
1,4-Dimethyl-5-(trichloromethyl)triazole
CID 69381485
4-Chloro-1-propyl-5-(trichloromethyl)triazole
CID 69381599
4-Chloro-1-ethyl-5-methyltriazole
CID 69381931
4-Chloro-5-methyl-1-propan-2-yltriazole
CID 69382086

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1,5-dimethyltriazole?
The IUPAC name of 4-chloro-1,5-dimethyltriazole (CID 69384820) is 4-chloro-1,5-dimethyltriazole.
What is the SMILES notation for 4-chloro-1,5-dimethyltriazole?
The canonical SMILES for 4-chloro-1,5-dimethyltriazole is Cc1c(Cl)nnn1C.
What is the InChIKey of 4-chloro-1,5-dimethyltriazole?
The InChIKey is SQDKJTDJFDVYJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6ClN3/c1-3-4(5)6-7-8(3)2/h1-2H3.
What are the key properties of 4-chloro-1,5-dimethyltriazole?
4-chloro-1,5-dimethyltriazole has a molecular weight of 131.57 g/mol, XLogP of 0.78, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1,5-dimethyltriazole is sourced from PubChem (CID 69384820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).