1-(4-propan-2-yl-1,2,4-triazol-3-yl)propan-2-amine

C8H16N4 — CID 62696425

IUPAC1-(4-propan-2-yl-1,2,4-triazol-3-yl)propan-2-amine
SMILESCC(N)Cc1nncn1C(C)C
InChIInChI=1S/C8H16N4/c1-6(2)12-5-10-11-8(12)4-7(3)9/h5-7H,4,9H2,1-3H3
InChIKeyGKSLXOUCEMMARD-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.75
Rot. Bonds3

About 1-(4-propan-2-yl-1,2,4-triazol-3-yl)propan-2-amine

1-(4-propan-2-yl-1,2,4-triazol-3-yl)propan-2-amine (PubChem CID 62696425) has the molecular formula C8H16N4 and a molecular weight of 168.24 g/mol. Its IUPAC name is 1-(4-propan-2-yl-1,2,4-triazol-3-yl)propan-2-amine.

Molecular Properties

Compound Name1-(4-propan-2-yl-1,2,4-triazol-3-yl)propan-2-amine
PubChem CID62696425
Molecular FormulaC8H16N4
Molecular Weight168.24 g/mol
Exact Mass168.14
IUPAC Name1-(4-propan-2-yl-1,2,4-triazol-3-yl)propan-2-amine
SMILESCC(N)Cc1nncn1C(C)C
InChIInChI=1S/C8H16N4/c1-6(2)12-5-10-11-8(12)4-7(3)9/h5-7H,4,9H2,1-3H3
InChIKeyGKSLXOUCEMMARD-UHFFFAOYSA-N
XLogP0.75
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-propan-2-yl-3-(2,3,3-trimethylbutyl)-1,2,4-triazole
CID 115393954
2-methoxy-3-(4-propan-2-yl-1,2,4-triazol-3-yl)propan-1-amine
CID 103160298
1-(4-ethyl-1,2,4-triazol-3-yl)propan-2-amine
CID 62692789
2-methyl-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]propan-1-amine
CID 115876465
(2S)-2-amino-3,3-dimethyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]butanamide;dihydrochloride
CID 119878824
1-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine
CID 64672298
2-amino-3-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pentanamide;dihydrochloride
CID 119878830
4-propan-2-yl-1,2,4-triazol-3-amine
CID 62695120
1-methoxy-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]propan-2-amine
CID 115891137
2-amino-2-phenyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]acetamide
CID 119878813
(2S)-2-amino-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]pentanamide
CID 118774494
(2S)-2-amino-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]pentanamide;hydrochloride
CID 154903527

Frequently Asked Questions

What is the IUPAC name of 1-(4-propan-2-yl-1,2,4-triazol-3-yl)propan-2-amine?
The IUPAC name of 1-(4-propan-2-yl-1,2,4-triazol-3-yl)propan-2-amine (CID 62696425) is 1-(4-propan-2-yl-1,2,4-triazol-3-yl)propan-2-amine.
What is the SMILES notation for 1-(4-propan-2-yl-1,2,4-triazol-3-yl)propan-2-amine?
The canonical SMILES for 1-(4-propan-2-yl-1,2,4-triazol-3-yl)propan-2-amine is CC(N)Cc1nncn1C(C)C.
What is the InChIKey of 1-(4-propan-2-yl-1,2,4-triazol-3-yl)propan-2-amine?
The InChIKey is GKSLXOUCEMMARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4/c1-6(2)12-5-10-11-8(12)4-7(3)9/h5-7H,4,9H2,1-3H3.
What are the key properties of 1-(4-propan-2-yl-1,2,4-triazol-3-yl)propan-2-amine?
1-(4-propan-2-yl-1,2,4-triazol-3-yl)propan-2-amine has a molecular weight of 168.24 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propan-2-yl-1,2,4-triazol-3-yl)propan-2-amine is sourced from PubChem (CID 62696425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).