4-chloro-1-ethyl-5-propan-2-yltriazole

C7H12ClN3 — CID 69386355

IUPAC4-chloro-1-ethyl-5-propan-2-yltriazole
SMILESCCn1nnc(Cl)c1C(C)C
InChIInChI=1S/C7H12ClN3/c1-4-11-6(5(2)3)7(8)9-10-11/h5H,4H2,1-3H3
InChIKeyJRWAJLHSAFKSED-UHFFFAOYSA-N
MW173.65 g/mol
LogP2.07
Rot. Bonds2

About 4-chloro-1-ethyl-5-propan-2-yltriazole

4-chloro-1-ethyl-5-propan-2-yltriazole (PubChem CID 69386355) has the molecular formula C7H12ClN3 and a molecular weight of 173.65 g/mol. Its IUPAC name is 4-chloro-1-ethyl-5-propan-2-yltriazole.

Molecular Properties

Compound Name4-chloro-1-ethyl-5-propan-2-yltriazole
PubChem CID69386355
Molecular FormulaC7H12ClN3
Molecular Weight173.65 g/mol
Exact Mass173.07
IUPAC Name4-chloro-1-ethyl-5-propan-2-yltriazole
SMILESCCn1nnc(Cl)c1C(C)C
InChIInChI=1S/C7H12ClN3/c1-4-11-6(5(2)3)7(8)9-10-11/h5H,4H2,1-3H3
InChIKeyJRWAJLHSAFKSED-UHFFFAOYSA-N
XLogP2.07
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.65
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-4,5-di(propan-2-yl)triazole
CID 69387515
4-chloro-1-ethyl-5-methyltriazole
CID 69381931
1-ethyl-5-propan-2-yltriazole-4-carboxylic acid
CID 62061254
1-ethyl-4-(1,1,2,2,2-pentafluoroethyl)-5-propan-2-yltriazole
CID 87806000
5-propan-2-yl-1-propyl-4-(trichloromethyl)triazole
CID 69382654
3-ethyl-5-propan-2-yltriazole-4-carbonitrile
CID 69383690
4-tert-butyl-5-chloro-1-ethyltriazole
CID 69383937
5-chloro-1-hexyl-4-propan-2-yltriazole
CID 69382422
5-butyl-4-chloro-1-propyltriazole
CID 69384361
1-ethyl-5-fluoro-4-(1,1,2,2,2-pentachloroethyl)triazole
CID 87804221
3-chloro-4-(3-methylpentan-2-yl)-5-propan-2-yl-1,2,4-triazole
CID 63385076
1-butyl-5-propan-2-yltriazole-4-carbonitrile
CID 69383147

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-ethyl-5-propan-2-yltriazole?
The IUPAC name of 4-chloro-1-ethyl-5-propan-2-yltriazole (CID 69386355) is 4-chloro-1-ethyl-5-propan-2-yltriazole.
What is the SMILES notation for 4-chloro-1-ethyl-5-propan-2-yltriazole?
The canonical SMILES for 4-chloro-1-ethyl-5-propan-2-yltriazole is CCn1nnc(Cl)c1C(C)C.
What is the InChIKey of 4-chloro-1-ethyl-5-propan-2-yltriazole?
The InChIKey is JRWAJLHSAFKSED-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12ClN3/c1-4-11-6(5(2)3)7(8)9-10-11/h5H,4H2,1-3H3.
What are the key properties of 4-chloro-1-ethyl-5-propan-2-yltriazole?
4-chloro-1-ethyl-5-propan-2-yltriazole has a molecular weight of 173.65 g/mol, XLogP of 2.07, 2 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-propan-2-yltriazole is sourced from PubChem (CID 69386355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).