4,5-di(propan-2-yl)triazol-1-amine

C8H16N4 — CID 141208194

IUPAC4,5-di(propan-2-yl)triazol-1-amine
SMILESCC(C)c1nnn(N)c1C(C)C
InChIInChI=1S/C8H16N4/c1-5(2)7-8(6(3)4)12(9)11-10-7/h5-6H,9H2,1-4H3
InChIKeySHIOKXJJURVUGY-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.24
Rot. Bonds2

About 4,5-di(propan-2-yl)triazol-1-amine

4,5-di(propan-2-yl)triazol-1-amine (PubChem CID 141208194) has the molecular formula C8H16N4 and a molecular weight of 168.24 g/mol. Its IUPAC name is 4,5-di(propan-2-yl)triazol-1-amine.

Molecular Properties

Compound Name4,5-di(propan-2-yl)triazol-1-amine
PubChem CID141208194
Molecular FormulaC8H16N4
Molecular Weight168.24 g/mol
Exact Mass168.14
IUPAC Name4,5-di(propan-2-yl)triazol-1-amine
SMILESCC(C)c1nnn(N)c1C(C)C
InChIInChI=1S/C8H16N4/c1-5(2)7-8(6(3)4)12(9)11-10-7/h5-6H,9H2,1-4H3
InChIKeySHIOKXJJURVUGY-UHFFFAOYSA-N
XLogP1.24
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-4,5-di(propan-2-yl)triazole
CID 69387515
5-bromo-1-methyl-4-propan-2-yltriazole
CID 69384327
3-amino-3-(1-methyl-5-propan-2-yltriazol-4-yl)propan-1-ol
CID 84774987
4-butan-2-yl-5-butyltriazol-1-amine;ethane
CID 163268713
5-ethenyl-1-methyl-4-propan-2-yltriazole
CID 171723470
1-methyl-4-propan-2-yl-5-(trichloromethyl)triazole
CID 69388327
5-(fluoromethyl)-1,4-di(propan-2-yl)triazole
CID 167345241
3-(4-chlorophenyl)-5-propan-2-yltriazol-4-amine
CID 105498545
4,5-dimethyltriazol-1-amine;ethane
CID 169203689
5,7-dimethyl-3-propan-2-yltriazolo[1,5-a][1,3,5]triazine
CID 161457064
N-methyl-1-(1-methyl-5-propan-2-yltriazol-4-yl)methanamine
CID 84765458
3-ethyl-5-propan-2-yltriazole-4-carbonitrile
CID 69383690

Frequently Asked Questions

What is the IUPAC name of 4,5-di(propan-2-yl)triazol-1-amine?
The IUPAC name of 4,5-di(propan-2-yl)triazol-1-amine (CID 141208194) is 4,5-di(propan-2-yl)triazol-1-amine.
What is the SMILES notation for 4,5-di(propan-2-yl)triazol-1-amine?
The canonical SMILES for 4,5-di(propan-2-yl)triazol-1-amine is CC(C)c1nnn(N)c1C(C)C.
What is the InChIKey of 4,5-di(propan-2-yl)triazol-1-amine?
The InChIKey is SHIOKXJJURVUGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4/c1-5(2)7-8(6(3)4)12(9)11-10-7/h5-6H,9H2,1-4H3.
What are the key properties of 4,5-di(propan-2-yl)triazol-1-amine?
4,5-di(propan-2-yl)triazol-1-amine has a molecular weight of 168.24 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-di(propan-2-yl)triazol-1-amine is sourced from PubChem (CID 141208194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).