4-methoxy-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]butan-2-amine

C10H20N4O — CID 115714418

IUPAC4-methoxy-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]butan-2-amine
SMILESCOCCC(C)NC(C)Cn1cncn1
InChIInChI=1S/C10H20N4O/c1-9(4-5-15-3)13-10(2)6-14-8-11-7-12-14/h7-10,13H,4-6H2,1-3H3
InChIKeyYJVUPZLLDRNGIL-UHFFFAOYSA-N
MW212.30 g/mol
LogP0.68
Rot. Bonds7

About 4-methoxy-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]butan-2-amine

4-methoxy-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]butan-2-amine (PubChem CID 115714418) has the molecular formula C10H20N4O and a molecular weight of 212.30 g/mol. Its IUPAC name is 4-methoxy-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]butan-2-amine.

Molecular Properties

Compound Name4-methoxy-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]butan-2-amine
PubChem CID115714418
Molecular FormulaC10H20N4O
Molecular Weight212.30 g/mol
Exact Mass212.16
IUPAC Name4-methoxy-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]butan-2-amine
SMILESCOCCC(C)NC(C)Cn1cncn1
InChIInChI=1S/C10H20N4O/c1-9(4-5-15-3)13-10(2)6-14-8-11-7-12-14/h7-10,13H,4-6H2,1-3H3
InChIKeyYJVUPZLLDRNGIL-UHFFFAOYSA-N
XLogP0.68
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-propan-2-yl-2-(1,2,4-triazol-1-yl)butan-1-amine
CID 62447180
N-[2-(1,2,4-triazol-1-yl)ethyl]pentan-2-amine
CID 62563995
(2R,3R)-3-methoxy-1-(1,2,4-triazol-1-yl)pentan-2-amine
CID 135133067
6-(1H-1,2,4-triazol-1-yl)-1,4-oxazepane
CID 137935687
1-Methyl-N-(tetrahydro-2H-pyran-4-yl)-1H-1,2,4-triazol-3-amine
CID 155225297
N-[[3-(1,2,4-triazol-1-ylmethyl)oxetan-3-yl]methyl]propan-2-amine
CID 156563763
molecular hydrogen;N-[[3-(1,2,4-triazol-1-ylmethyl)oxetan-3-yl]methyl]butan-2-amine
CID 156801663
ethane;N-[2-(1,2,4-triazol-1-yl)ethyl]propan-2-amine
CID 156868597
N-propan-2-yloxan-4-amine;4-propan-2-yl-1,2,4-triazole
CID 160780508
methane;N-propan-2-yloxan-4-amine;4-propan-2-yl-1,2,4-triazole
CID 161190868
1-(3-methoxypropyl)-N-methyl-1,2,4-triazol-3-amine
CID 174340911
N-(3-methoxypropyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 55028141

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]butan-2-amine?
The IUPAC name of 4-methoxy-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]butan-2-amine (CID 115714418) is 4-methoxy-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]butan-2-amine.
What is the SMILES notation for 4-methoxy-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]butan-2-amine?
The canonical SMILES for 4-methoxy-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]butan-2-amine is COCCC(C)NC(C)Cn1cncn1.
What is the InChIKey of 4-methoxy-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]butan-2-amine?
The InChIKey is YJVUPZLLDRNGIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O/c1-9(4-5-15-3)13-10(2)6-14-8-11-7-12-14/h7-10,13H,4-6H2,1-3H3.
What are the key properties of 4-methoxy-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]butan-2-amine?
4-methoxy-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]butan-2-amine has a molecular weight of 212.30 g/mol, XLogP of 0.68, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]butan-2-amine is sourced from PubChem (CID 115714418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).