1-(3-methoxy-1H-1,2,4-triazol-5-yl)propan-2-amine

C6H12N4O — CID 83872862

IUPAC1-(3-methoxy-1H-1,2,4-triazol-5-yl)propan-2-amine
SMILESCOc1n[nH]c(CC(C)N)n1
InChIInChI=1S/C6H12N4O/c1-4(7)3-5-8-6(11-2)10-9-5/h4H,3,7H2,1-2H3,(H,8,9,10)
InChIKeyUDXCCWCOHKMZFE-UHFFFAOYSA-N
MW156.19 g/mol
LogP-0.30
Rot. Bonds3

About 1-(3-methoxy-1H-1,2,4-triazol-5-yl)propan-2-amine

1-(3-methoxy-1H-1,2,4-triazol-5-yl)propan-2-amine (PubChem CID 83872862) has the molecular formula C6H12N4O and a molecular weight of 156.19 g/mol. Its IUPAC name is 1-(3-methoxy-1H-1,2,4-triazol-5-yl)propan-2-amine.

Molecular Properties

Compound Name1-(3-methoxy-1H-1,2,4-triazol-5-yl)propan-2-amine
PubChem CID83872862
Molecular FormulaC6H12N4O
Molecular Weight156.19 g/mol
Exact Mass156.10
IUPAC Name1-(3-methoxy-1H-1,2,4-triazol-5-yl)propan-2-amine
SMILESCOc1n[nH]c(CC(C)N)n1
InChIInChI=1S/C6H12N4O/c1-4(7)3-5-8-6(11-2)10-9-5/h4H,3,7H2,1-2H3,(H,8,9,10)
InChIKeyUDXCCWCOHKMZFE-UHFFFAOYSA-N
XLogP-0.30
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-aminopropyl)-1H-1,2,4-triazol-3-amine
CID 61319976
(3-methoxy-1H-1,2,4-triazol-5-yl)methanamine
CID 83872219
1-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)propan-2-amine
CID 61337752
5-(2-aminopropyl)-N-methyl-1H-1,2,4-triazol-3-amine
CID 83872825
1-(1,4-dihydroimidazo[4,5-d]pyrazol-5-yl)propan-2-amine
CID 136922884
3,5-dimethoxy-1H-1,2,4-triazole
CID 539449
(R)-(4-methoxyphenyl)-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]methanamine
CID 97287536
1-[3-(4-methylpiperidin-1-yl)-1H-1,2,4-triazol-5-yl]propan-2-amine
CID 83891348
1-(3-amino-1H-1,2,4-triazol-5-yl)propan-2-ol
CID 54086471
1-(3,6-dimethoxy-2-pyridinyl)propan-2-amine
CID 169246630
1-(6-methoxy-2H-indazol-3-yl)propan-2-amine
CID 83908741
4-hydroxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)pentanamide
CID 83095957

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-1H-1,2,4-triazol-5-yl)propan-2-amine?
The IUPAC name of 1-(3-methoxy-1H-1,2,4-triazol-5-yl)propan-2-amine (CID 83872862) is 1-(3-methoxy-1H-1,2,4-triazol-5-yl)propan-2-amine.
What is the SMILES notation for 1-(3-methoxy-1H-1,2,4-triazol-5-yl)propan-2-amine?
The canonical SMILES for 1-(3-methoxy-1H-1,2,4-triazol-5-yl)propan-2-amine is COc1n[nH]c(CC(C)N)n1.
What is the InChIKey of 1-(3-methoxy-1H-1,2,4-triazol-5-yl)propan-2-amine?
The InChIKey is UDXCCWCOHKMZFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4O/c1-4(7)3-5-8-6(11-2)10-9-5/h4H,3,7H2,1-2H3,(H,8,9,10).
What are the key properties of 1-(3-methoxy-1H-1,2,4-triazol-5-yl)propan-2-amine?
1-(3-methoxy-1H-1,2,4-triazol-5-yl)propan-2-amine has a molecular weight of 156.19 g/mol, XLogP of -0.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-1H-1,2,4-triazol-5-yl)propan-2-amine is sourced from PubChem (CID 83872862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).