1-cyclopropyl-5-propan-2-yltriazole

C8H13N3 — CID 166500050

IUPAC1-cyclopropyl-5-propan-2-yltriazole
SMILESCC(C)c1cnnn1C1CC1
InChIInChI=1S/C8H13N3/c1-6(2)8-5-9-10-11(8)7-3-4-7/h5-7H,3-4H2,1-2H3
InChIKeyYXNMTNZBYPZIDA-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.74
Rot. Bonds2

About 1-cyclopropyl-5-propan-2-yltriazole

1-cyclopropyl-5-propan-2-yltriazole (PubChem CID 166500050) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is 1-cyclopropyl-5-propan-2-yltriazole.

Molecular Properties

Compound Name1-cyclopropyl-5-propan-2-yltriazole
PubChem CID166500050
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name1-cyclopropyl-5-propan-2-yltriazole
SMILESCC(C)c1cnnn1C1CC1
InChIInChI=1S/C8H13N3/c1-6(2)8-5-9-10-11(8)7-3-4-7/h5-7H,3-4H2,1-2H3
InChIKeyYXNMTNZBYPZIDA-UHFFFAOYSA-N
XLogP1.74
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Ethyl-1-(2-fluoroethyl)triazole
CID 58251782
1,4-Diethyltriazole
CID 19779068
1,4-Di(propan-2-yl)triazole
CID 21054920
4-Ethyl-1-methyltriazole
CID 59050128
4-Tert-butyl-1-prop-2-enyltriazole
CID 85961759
1-(2-Fluoroethyl)-4-propan-2-yltriazole
CID 58384186
1-(3-Fluoropropyl)-4-propan-2-yltriazole
CID 58384188
1-(4-Fluorobutyl)-4-propan-2-yltriazole
CID 58384189
1-(Fluoromethyl)-4-propan-2-yltriazole
CID 58384190
4-(2-Fluoroethyl)-1-propan-2-yltriazole
CID 58384191
5-Tert-butyl-1-(2,2,2-trifluoroethyl)triazole
CID 58403048
5-Ethyl-1-(2,2,2-trifluoroethyl)triazole
CID 68256735

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-5-propan-2-yltriazole?
The IUPAC name of 1-cyclopropyl-5-propan-2-yltriazole (CID 166500050) is 1-cyclopropyl-5-propan-2-yltriazole.
What is the SMILES notation for 1-cyclopropyl-5-propan-2-yltriazole?
The canonical SMILES for 1-cyclopropyl-5-propan-2-yltriazole is CC(C)c1cnnn1C1CC1.
What is the InChIKey of 1-cyclopropyl-5-propan-2-yltriazole?
The InChIKey is YXNMTNZBYPZIDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3/c1-6(2)8-5-9-10-11(8)7-3-4-7/h5-7H,3-4H2,1-2H3.
What are the key properties of 1-cyclopropyl-5-propan-2-yltriazole?
1-cyclopropyl-5-propan-2-yltriazole has a molecular weight of 151.21 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-5-propan-2-yltriazole is sourced from PubChem (CID 166500050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).