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

C12H24N4 — CID 79413166

IUPAC1-(2-methyl-1,2,4-triazol-3-yl)-N-propan-2-ylhexan-2-amine
SMILESCCCCC(Cc1ncnn1C)NC(C)C
InChIInChI=1S/C12H24N4/c1-5-6-7-11(15-10(2)3)8-12-13-9-14-16(12)4/h9-11,15H,5-8H2,1-4H3
InChIKeyBXLYZRXAPSHLMT-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.91
Rot. Bonds7

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

1-(2-methyl-1,2,4-triazol-3-yl)-N-propan-2-ylhexan-2-amine (PubChem CID 79413166) 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)-N-propan-2-ylhexan-2-amine.

Molecular Properties

Compound Name1-(2-methyl-1,2,4-triazol-3-yl)-N-propan-2-ylhexan-2-amine
PubChem CID79413166
Molecular FormulaC12H24N4
Molecular Weight224.35 g/mol
Exact Mass224.20
IUPAC Name1-(2-methyl-1,2,4-triazol-3-yl)-N-propan-2-ylhexan-2-amine
SMILESCCCCC(Cc1ncnn1C)NC(C)C
InChIInChI=1S/C12H24N4/c1-5-6-7-11(15-10(2)3)8-12-13-9-14-16(12)4/h9-11,15H,5-8H2,1-4H3
InChIKeyBXLYZRXAPSHLMT-UHFFFAOYSA-N
XLogP1.91
TPSA42.74 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 ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-propan-2-yl-1-(2-propyl-1,2,4-triazol-3-yl)hexan-2-amine
CID 79411663
N-[(2-methyl-1,2,4-triazol-3-yl)methyl]octan-4-amine
CID 103787498
1-(1-methylbenzimidazol-2-yl)-N-propan-2-ylhexan-2-amine
CID 79750942
1-(2-ethyl-1,2,4-triazol-3-yl)hexan-2-ylhydrazine
CID 105245744
1-(2-methyl-1,2,4-triazol-3-yl)-3-propylhexan-2-amine
CID 104997891
N-[(2-methyl-1,2,4-triazol-3-yl)methyl]heptan-4-amine
CID 115677442
4-cyclohexyl-1-(2-methyl-1,2,4-triazol-3-yl)-N-propylbutan-2-amine
CID 104997751
N-propan-2-yl-1-pyridin-4-ylhexan-2-amine
CID 79411774
1-N,1-N,3-N-triethyl-4-(2-methyl-1,2,4-triazol-3-yl)butane-1,3-diamine
CID 79086953
[1-ethylsulfanyl-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine
CID 105225311
[1-(4-butoxyphenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105316582
1-(4-ethylphenyl)-N-propan-2-ylhexan-2-amine
CID 79413154

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1,2,4-triazol-3-yl)-N-propan-2-ylhexan-2-amine?
The IUPAC name of 1-(2-methyl-1,2,4-triazol-3-yl)-N-propan-2-ylhexan-2-amine (CID 79413166) is 1-(2-methyl-1,2,4-triazol-3-yl)-N-propan-2-ylhexan-2-amine.
What is the SMILES notation for 1-(2-methyl-1,2,4-triazol-3-yl)-N-propan-2-ylhexan-2-amine?
The canonical SMILES for 1-(2-methyl-1,2,4-triazol-3-yl)-N-propan-2-ylhexan-2-amine is CCCCC(Cc1ncnn1C)NC(C)C.
What is the InChIKey of 1-(2-methyl-1,2,4-triazol-3-yl)-N-propan-2-ylhexan-2-amine?
The InChIKey is BXLYZRXAPSHLMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4/c1-5-6-7-11(15-10(2)3)8-12-13-9-14-16(12)4/h9-11,15H,5-8H2,1-4H3.
What are the key properties of 1-(2-methyl-1,2,4-triazol-3-yl)-N-propan-2-ylhexan-2-amine?
1-(2-methyl-1,2,4-triazol-3-yl)-N-propan-2-ylhexan-2-amine has a molecular weight of 224.35 g/mol, XLogP of 1.91, 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)-N-propan-2-ylhexan-2-amine is sourced from PubChem (CID 79413166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).