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

C16H30N6 — CID 161103432

IUPAC1,5-di(propan-2-yl)triazole
SMILESCC(C)c1cnnn1C(C)C.CC(C)c1cnnn1C(C)C
InChIInChI=1S/2C8H15N3/c2*1-6(2)8-5-9-10-11(8)7(3)4/h2*5-7H,1-4H3
InChIKeyUISSYMHCZCRVMU-UHFFFAOYSA-N
MW306.46 g/mol
LogP3.96
Rot. Bonds4

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

1,5-di(propan-2-yl)triazole (PubChem CID 161103432) has the molecular formula C16H30N6 and a molecular weight of 306.46 g/mol. Its IUPAC name is 1,5-di(propan-2-yl)triazole.

Molecular Properties

Compound Name1,5-di(propan-2-yl)triazole
PubChem CID161103432
Molecular FormulaC16H30N6
Molecular Weight306.46 g/mol
Exact Mass306.25
IUPAC Name1,5-di(propan-2-yl)triazole
SMILESCC(C)c1cnnn1C(C)C.CC(C)c1cnnn1C(C)C
InChIInChI=1S/2C8H15N3/c2*1-6(2)8-5-9-10-11(8)7(3)4/h2*5-7H,1-4H3
InChIKeyUISSYMHCZCRVMU-UHFFFAOYSA-N
XLogP3.96
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.46
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(5-propan-2-yltriazol-1-yl)ethanethiol
CID 163802704
2,4-dimethylpentane;bis(1,4-di(propan-2-yl)triazole);bis(1,5-di(propan-2-yl)triazole)
CID 158086166
1-methylsulfanyl-5-propan-2-yltriazole
CID 153215052
dimethyl-(3-propan-2-yltriazol-4-yl)phosphane
CID 134414555
1-cyclopropyl-5-propan-2-yltriazole
CID 166500050
1-(3-propan-2-yltriazol-4-yl)ethanone
CID 126982417
5-chloro-1,4-di(propan-2-yl)pyrazole
CID 90145823
5-(1-bromoethyl)-1-butan-2-yltriazole
CID 130567264
1,6-di(propan-2-yl)pyrazolo[4,3-c]pyridazine
CID 176646226
2-amino-1-(3-propan-2-yltriazol-4-yl)ethanone
CID 84731740
N-methyl-N-[2-methyl-4-(3-propan-2-yltriazol-4-yl)heptan-2-yl]methanesulfonamide
CID 118241694
1-(3-propan-2-yltriazol-4-yl)butan-2-one
CID 130356606

Frequently Asked Questions

What is the IUPAC name of 1,5-di(propan-2-yl)triazole?
The IUPAC name of 1,5-di(propan-2-yl)triazole (CID 161103432) is 1,5-di(propan-2-yl)triazole.
What is the SMILES notation for 1,5-di(propan-2-yl)triazole?
The canonical SMILES for 1,5-di(propan-2-yl)triazole is CC(C)c1cnnn1C(C)C.CC(C)c1cnnn1C(C)C.
What is the InChIKey of 1,5-di(propan-2-yl)triazole?
The InChIKey is UISSYMHCZCRVMU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H15N3/c2*1-6(2)8-5-9-10-11(8)7(3)4/h2*5-7H,1-4H3.
What are the key properties of 1,5-di(propan-2-yl)triazole?
1,5-di(propan-2-yl)triazole has a molecular weight of 306.46 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-di(propan-2-yl)triazole is sourced from PubChem (CID 161103432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).