1-(2-methyl-1,2,4-triazol-3-yl)-3-propylhexan-2-amine

C12H24N4 — CID 104997891

IUPAC1-(2-methyl-1,2,4-triazol-3-yl)-3-propylhexan-2-amine
SMILESCCCC(CCC)C(N)Cc1ncnn1C
InChIInChI=1S/C12H24N4/c1-4-6-10(7-5-2)11(13)8-12-14-9-15-16(12)3/h9-11H,4-8,13H2,1-3H3
InChIKeyPAUADLWOOGZZQT-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.90
Rot. Bonds7

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

1-(2-methyl-1,2,4-triazol-3-yl)-3-propylhexan-2-amine (PubChem CID 104997891) has the molecular formula C12H24N4 and a molecular weight of 224.35 g/mol. Its IUPAC name is 1-(2-methyl-1,2,4-triazol-3-yl)-3-propylhexan-2-amine.

Molecular Properties

Compound Name1-(2-methyl-1,2,4-triazol-3-yl)-3-propylhexan-2-amine
PubChem CID104997891
Molecular FormulaC12H24N4
Molecular Weight224.35 g/mol
Exact Mass224.20
IUPAC Name1-(2-methyl-1,2,4-triazol-3-yl)-3-propylhexan-2-amine
SMILESCCCC(CCC)C(N)Cc1ncnn1C
InChIInChI=1S/C12H24N4/c1-4-6-10(7-5-2)11(13)8-12-14-9-15-16(12)3/h9-11H,4-8,13H2,1-3H3
InChIKeyPAUADLWOOGZZQT-UHFFFAOYSA-N
XLogP1.90
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,3-dimethyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-amine
CID 104997860
N-[(2-methyl-1,2,4-triazol-3-yl)methyl]heptan-4-amine
CID 115677442
3-ethoxy-1-(2-methyl-1,2,4-triazol-3-yl)hexan-2-ol
CID 116711380
2-fluoro-3-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine
CID 112562610
1-(2-methyl-1,2,4-triazol-3-yl)-N-propan-2-ylhexan-2-amine
CID 79413166
5-[2-(bromomethyl)butyl]-1-methyl-1,2,4-triazole
CID 66043454
N,3,3-trimethyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-amine
CID 104997587
3-N,3-N,3-trimethyl-1-(2-methyl-1,2,4-triazol-3-yl)butane-2,3-diamine
CID 79052789
1-methylsulfonyl-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-amine
CID 115649274
ethane;5-ethyl-1-methyl-1,2,4-triazole
CID 164877506
3-ethoxy-3-ethyl-1-(2-methyl-1,2,4-triazol-3-yl)-N-propylpentan-2-amine
CID 116760277
1-(5-ethylfuran-2-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 104997656

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1,2,4-triazol-3-yl)-3-propylhexan-2-amine?
The IUPAC name of 1-(2-methyl-1,2,4-triazol-3-yl)-3-propylhexan-2-amine (CID 104997891) is 1-(2-methyl-1,2,4-triazol-3-yl)-3-propylhexan-2-amine.
What is the SMILES notation for 1-(2-methyl-1,2,4-triazol-3-yl)-3-propylhexan-2-amine?
The canonical SMILES for 1-(2-methyl-1,2,4-triazol-3-yl)-3-propylhexan-2-amine is CCCC(CCC)C(N)Cc1ncnn1C.
What is the InChIKey of 1-(2-methyl-1,2,4-triazol-3-yl)-3-propylhexan-2-amine?
The InChIKey is PAUADLWOOGZZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4/c1-4-6-10(7-5-2)11(13)8-12-14-9-15-16(12)3/h9-11H,4-8,13H2,1-3H3.
What are the key properties of 1-(2-methyl-1,2,4-triazol-3-yl)-3-propylhexan-2-amine?
1-(2-methyl-1,2,4-triazol-3-yl)-3-propylhexan-2-amine has a molecular weight of 224.35 g/mol, XLogP of 1.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1,2,4-triazol-3-yl)-3-propylhexan-2-amine is sourced from PubChem (CID 104997891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).