4-chloro-1-ethyl-5-methyltriazole

C5H8ClN3 — CID 69381931

IUPAC4-chloro-1-ethyl-5-methyltriazole
SMILESCCn1nnc(Cl)c1C
InChIInChI=1S/C5H8ClN3/c1-3-9-4(2)5(6)7-8-9/h3H2,1-2H3
InChIKeyKLESADOEKFQPDG-UHFFFAOYSA-N
MW145.59 g/mol
LogP1.26
Rot. Bonds1

About 4-chloro-1-ethyl-5-methyltriazole

4-chloro-1-ethyl-5-methyltriazole (PubChem CID 69381931) has the molecular formula C5H8ClN3 and a molecular weight of 145.59 g/mol. Its IUPAC name is 4-chloro-1-ethyl-5-methyltriazole.

Molecular Properties

Compound Name4-chloro-1-ethyl-5-methyltriazole
PubChem CID69381931
Molecular FormulaC5H8ClN3
Molecular Weight145.59 g/mol
Exact Mass145.04
IUPAC Name4-chloro-1-ethyl-5-methyltriazole
SMILESCCn1nnc(Cl)c1C
InChIInChI=1S/C5H8ClN3/c1-3-9-4(2)5(6)7-8-9/h3H2,1-2H3
InChIKeyKLESADOEKFQPDG-UHFFFAOYSA-N
XLogP1.26
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.59
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-1-ethyl-5-propan-2-yltriazole
CID 69386355
(1-ethyl-5-methyltriazol-4-yl)methanol
CID 82207210
4-chloro-1,5-dimethyltriazole
CID 69384820
1-(1-ethyl-5-methyltriazol-4-yl)cyclopropan-1-amine
CID 84765123
4-tert-butyl-5-chloro-1-ethyltriazole
CID 69383937
1-ethyl-5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)triazole
CID 172644603
1-(1-ethyl-5-methyltriazol-4-yl)cyclopropane-1-carbonitrile
CID 84767185
3-chloro-1-ethylpyrazole-4,5-diamine
CID 66769875
5-butyl-4-chloro-1-propyltriazole
CID 69384361
1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-5-methyltriazol-4-amine
CID 79542426
(1-ethyl-5-methyltriazol-4-yl)-piperazin-1-ylmethanone
CID 82509564
prop-2-enyl 1-ethyl-5-methyltriazole-4-carboxylate
CID 103114216

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-ethyl-5-methyltriazole?
The IUPAC name of 4-chloro-1-ethyl-5-methyltriazole (CID 69381931) is 4-chloro-1-ethyl-5-methyltriazole.
What is the SMILES notation for 4-chloro-1-ethyl-5-methyltriazole?
The canonical SMILES for 4-chloro-1-ethyl-5-methyltriazole is CCn1nnc(Cl)c1C.
What is the InChIKey of 4-chloro-1-ethyl-5-methyltriazole?
The InChIKey is KLESADOEKFQPDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8ClN3/c1-3-9-4(2)5(6)7-8-9/h3H2,1-2H3.
What are the key properties of 4-chloro-1-ethyl-5-methyltriazole?
4-chloro-1-ethyl-5-methyltriazole has a molecular weight of 145.59 g/mol, XLogP of 1.26, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-ethyl-5-methyltriazole is sourced from PubChem (CID 69381931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).