1-ethyl-4,5-di(propan-2-yl)triazole

C10H19N3 — CID 69387515

IUPAC1-ethyl-4,5-di(propan-2-yl)triazole
SMILESCCn1nnc(C(C)C)c1C(C)C
InChIInChI=1S/C10H19N3/c1-6-13-10(8(4)5)9(7(2)3)11-12-13/h7-8H,6H2,1-5H3
InChIKeyBVVGZPXDPSTCDZ-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.54
Rot. Bonds3

About 1-ethyl-4,5-di(propan-2-yl)triazole

1-ethyl-4,5-di(propan-2-yl)triazole (PubChem CID 69387515) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is 1-ethyl-4,5-di(propan-2-yl)triazole.

Molecular Properties

Compound Name1-ethyl-4,5-di(propan-2-yl)triazole
PubChem CID69387515
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name1-ethyl-4,5-di(propan-2-yl)triazole
SMILESCCn1nnc(C(C)C)c1C(C)C
InChIInChI=1S/C10H19N3/c1-6-13-10(8(4)5)9(7(2)3)11-12-13/h7-8H,6H2,1-5H3
InChIKeyBVVGZPXDPSTCDZ-UHFFFAOYSA-N
XLogP2.54
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-1-ethyl-5-propan-2-yltriazole
CID 69386355
3-ethyl-5-propan-2-yltriazole-4-carbonitrile
CID 69383690
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
4,5-di(propan-2-yl)triazol-1-amine
CID 141208194
1-butyl-4-propan-2-yl-5-propyltriazole
CID 69385473
5-chloro-1-hexyl-4-propan-2-yltriazole
CID 69382422
5-bromo-1-hexyl-4-propan-2-yltriazole
CID 69387210
1-butyl-4-propan-2-yl-5-(trifluoromethyl)triazole
CID 69382054
3-butyl-5-propan-2-yltriazole-4-carbonitrile
CID 69384076
5-propan-2-yl-1-propyl-4-(trichloromethyl)triazole
CID 69382654
1-heptyl-5-propan-2-yltriazole-4-carbaldehyde
CID 82208006

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4,5-di(propan-2-yl)triazole?
The IUPAC name of 1-ethyl-4,5-di(propan-2-yl)triazole (CID 69387515) is 1-ethyl-4,5-di(propan-2-yl)triazole.
What is the SMILES notation for 1-ethyl-4,5-di(propan-2-yl)triazole?
The canonical SMILES for 1-ethyl-4,5-di(propan-2-yl)triazole is CCn1nnc(C(C)C)c1C(C)C.
What is the InChIKey of 1-ethyl-4,5-di(propan-2-yl)triazole?
The InChIKey is BVVGZPXDPSTCDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-6-13-10(8(4)5)9(7(2)3)11-12-13/h7-8H,6H2,1-5H3.
What are the key properties of 1-ethyl-4,5-di(propan-2-yl)triazole?
1-ethyl-4,5-di(propan-2-yl)triazole has a molecular weight of 181.28 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4,5-di(propan-2-yl)triazole is sourced from PubChem (CID 69387515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).