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

C6H12N4O — CID 103160294

IUPAC2-methoxy-3-(1H-1,2,4-triazol-5-yl)propan-1-amine
SMILESCOC(CN)Cc1ncn[nH]1
InChIInChI=1S/C6H12N4O/c1-11-5(3-7)2-6-8-4-9-10-6/h4-5H,2-3,7H2,1H3,(H,8,9,10)
InChIKeyXKPPEHDUEKUHBX-UHFFFAOYSA-N
MW156.19 g/mol
LogP-0.68
Rot. Bonds4

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

2-methoxy-3-(1H-1,2,4-triazol-5-yl)propan-1-amine (PubChem CID 103160294) has the molecular formula C6H12N4O and a molecular weight of 156.19 g/mol. Its IUPAC name is 2-methoxy-3-(1H-1,2,4-triazol-5-yl)propan-1-amine.

Molecular Properties

Compound Name2-methoxy-3-(1H-1,2,4-triazol-5-yl)propan-1-amine
PubChem CID103160294
Molecular FormulaC6H12N4O
Molecular Weight156.19 g/mol
Exact Mass156.10
IUPAC Name2-methoxy-3-(1H-1,2,4-triazol-5-yl)propan-1-amine
SMILESCOC(CN)Cc1ncn[nH]1
InChIInChI=1S/C6H12N4O/c1-11-5(3-7)2-6-8-4-9-10-6/h4-5H,2-3,7H2,1H3,(H,8,9,10)
InChIKeyXKPPEHDUEKUHBX-UHFFFAOYSA-N
XLogP-0.68
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-3-methoxy-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide
CID 103155320
4-amino-3-methoxy-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide
CID 103155987
3-amino-2-methoxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 106112977
5-(2-methoxyethyl)-1H-1,2,4-triazole
CID 58490953
2-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propane-1,2-diamine
CID 103390085
2-methoxy-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)propan-1-amine
CID 103154004
1-(4-methoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)propan-2-ol
CID 23047682
2-(1H-1,2,4-triazol-5-yl)ethanethioamide
CID 131121035
2-(1H-1,2,4-triazol-5-yl)butan-1-amine
CID 56973910
3-(6-chloro-1H-benzimidazol-2-yl)-2-methoxypropan-1-amine
CID 103153939
2-azaniumyl-3-(1H-1,2,4-triazol-5-yl)propanoate
CID 74699888
5-(propan-2-ylsulfanylmethyl)-1H-1,2,4-triazole
CID 146611775

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-(1H-1,2,4-triazol-5-yl)propan-1-amine?
The IUPAC name of 2-methoxy-3-(1H-1,2,4-triazol-5-yl)propan-1-amine (CID 103160294) is 2-methoxy-3-(1H-1,2,4-triazol-5-yl)propan-1-amine.
What is the SMILES notation for 2-methoxy-3-(1H-1,2,4-triazol-5-yl)propan-1-amine?
The canonical SMILES for 2-methoxy-3-(1H-1,2,4-triazol-5-yl)propan-1-amine is COC(CN)Cc1ncn[nH]1.
What is the InChIKey of 2-methoxy-3-(1H-1,2,4-triazol-5-yl)propan-1-amine?
The InChIKey is XKPPEHDUEKUHBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4O/c1-11-5(3-7)2-6-8-4-9-10-6/h4-5H,2-3,7H2,1H3,(H,8,9,10).
What are the key properties of 2-methoxy-3-(1H-1,2,4-triazol-5-yl)propan-1-amine?
2-methoxy-3-(1H-1,2,4-triazol-5-yl)propan-1-amine has a molecular weight of 156.19 g/mol, XLogP of -0.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-(1H-1,2,4-triazol-5-yl)propan-1-amine is sourced from PubChem (CID 103160294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).