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

C9H18N4 — CID 94552688

IUPAC(1R)-1-(4-propan-2-yl-1,2,4-triazol-3-yl)butan-1-amine
SMILESCCC[C@@H](N)c1nncn1C(C)C
InChIInChI=1S/C9H18N4/c1-4-5-8(10)9-12-11-6-13(9)7(2)3/h6-8H,4-5,10H2,1-3H3/t8-/m1/s1
InChIKeyUAGRNNPSFIOQPJ-MRVPVSSYSA-N
MW182.27 g/mol
LogP1.66
Rot. Bonds4

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

(1R)-1-(4-propan-2-yl-1,2,4-triazol-3-yl)butan-1-amine (PubChem CID 94552688) has the molecular formula C9H18N4 and a molecular weight of 182.27 g/mol. Its IUPAC name is (1R)-1-(4-propan-2-yl-1,2,4-triazol-3-yl)butan-1-amine.

Molecular Properties

Compound Name(1R)-1-(4-propan-2-yl-1,2,4-triazol-3-yl)butan-1-amine
PubChem CID94552688
Molecular FormulaC9H18N4
Molecular Weight182.27 g/mol
Exact Mass182.15
IUPAC Name(1R)-1-(4-propan-2-yl-1,2,4-triazol-3-yl)butan-1-amine
SMILESCCC[C@@H](N)c1nncn1C(C)C
InChIInChI=1S/C9H18N4/c1-4-5-8(10)9-12-11-6-13(9)7(2)3/h6-8H,4-5,10H2,1-3H3/t8-/m1/s1
InChIKeyUAGRNNPSFIOQPJ-MRVPVSSYSA-N
XLogP1.66
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-1-(4-propan-2-yl-1,2,4-triazol-3-yl)butan-1-amine
CID 62697766
(1R)-1-(4-phenyl-1,2,4-triazol-3-yl)butan-1-amine
CID 94554781
1-(4-cyclopentyl-1,2,4-triazol-3-yl)butan-1-amine
CID 62711601
1-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-1-amine
CID 62709894
4-ethyl-3-pentan-2-yl-1,2,4-triazole
CID 115394788
(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
1-(4-propan-2-yl-1,2,4-triazol-3-yl)propan-2-amine
CID 62696425
ethyl 2-phenyl-2-(4-propan-2-yl-1,2,4-triazol-3-yl)acetate
CID 79472734
4-propan-2-yl-1,2,4-triazol-3-amine
CID 62695120
1-(4-propyl-1,2,4-triazol-3-yl)ethanamine;dihydrochloride
CID 47000737
1-(4-phenyl-1,2,4-triazol-3-yl)pentan-1-amine
CID 62709915

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-propan-2-yl-1,2,4-triazol-3-yl)butan-1-amine?
The IUPAC name of (1R)-1-(4-propan-2-yl-1,2,4-triazol-3-yl)butan-1-amine (CID 94552688) is (1R)-1-(4-propan-2-yl-1,2,4-triazol-3-yl)butan-1-amine.
What is the SMILES notation for (1R)-1-(4-propan-2-yl-1,2,4-triazol-3-yl)butan-1-amine?
The canonical SMILES for (1R)-1-(4-propan-2-yl-1,2,4-triazol-3-yl)butan-1-amine is CCC[C@@H](N)c1nncn1C(C)C.
What is the InChIKey of (1R)-1-(4-propan-2-yl-1,2,4-triazol-3-yl)butan-1-amine?
The InChIKey is UAGRNNPSFIOQPJ-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H18N4/c1-4-5-8(10)9-12-11-6-13(9)7(2)3/h6-8H,4-5,10H2,1-3H3/t8-/m1/s1.
What are the key properties of (1R)-1-(4-propan-2-yl-1,2,4-triazol-3-yl)butan-1-amine?
(1R)-1-(4-propan-2-yl-1,2,4-triazol-3-yl)butan-1-amine has a molecular weight of 182.27 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-propan-2-yl-1,2,4-triazol-3-yl)butan-1-amine is sourced from PubChem (CID 94552688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).