4-amino-3-methoxy-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide

C8H15N5O2 — CID 103155320

IUPAC4-amino-3-methoxy-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide
SMILESCOC(CN)CC(=O)NCc1ncn[nH]1
InChIInChI=1S/C8H15N5O2/c1-15-6(3-9)2-8(14)10-4-7-11-5-12-13-7/h5-6H,2-4,9H2,1H3,(H,10,14)(H,11,12,13)
InChIKeyXLWQBACZLBJTHJ-UHFFFAOYSA-N
MW213.24 g/mol
LogP-1.22
Rot. Bonds6

About 4-amino-3-methoxy-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide

4-amino-3-methoxy-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide (PubChem CID 103155320) has the molecular formula C8H15N5O2 and a molecular weight of 213.24 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide.

Molecular Properties

Compound Name4-amino-3-methoxy-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide
PubChem CID103155320
Molecular FormulaC8H15N5O2
Molecular Weight213.24 g/mol
Exact Mass213.12
IUPAC Name4-amino-3-methoxy-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide
SMILESCOC(CN)CC(=O)NCc1ncn[nH]1
InChIInChI=1S/C8H15N5O2/c1-15-6(3-9)2-8(14)10-4-7-11-5-12-13-7/h5-6H,2-4,9H2,1H3,(H,10,14)(H,11,12,13)
InChIKeyXLWQBACZLBJTHJ-UHFFFAOYSA-N
XLogP-1.22
TPSA105.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 5-1.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3,4,4-trimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)pentanamide
CID 63822003
4-amino-3-methoxy-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide
CID 103155987
2-methoxy-3-(1H-1,2,4-triazol-5-yl)propan-1-amine
CID 103160294
ethyl 4-oxo-4-(1H-1,2,4-triazol-5-ylmethylamino)butanoate
CID 60982678
2-amino-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
CID 60982177
3-amino-2-methoxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 106112977
4-amino-3-methoxy-N-[(5-methyl-1,3-oxazol-2-yl)methyl]butanamide
CID 107093435
5-[[(4-amino-3-methoxybutanoyl)amino]methyl]pyridine-2-carboxylic acid
CID 103156329
N-(2-aminoethyl)-N'-(1H-1,2,4-triazol-5-ylmethyl)oxamide
CID 64517400
6-oxo-6-(1H-1,2,4-triazol-5-ylmethylamino)hexanoic acid
CID 60978215
4-amino-3-methoxy-N-(5-methyl-1H-pyrazol-3-yl)butanamide
CID 103155915
4-amino-N-[(4-tert-butylphenyl)methyl]-3-methoxybutanamide
CID 120588034

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide?
The IUPAC name of 4-amino-3-methoxy-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide (CID 103155320) is 4-amino-3-methoxy-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide.
What is the SMILES notation for 4-amino-3-methoxy-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide?
The canonical SMILES for 4-amino-3-methoxy-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide is COC(CN)CC(=O)NCc1ncn[nH]1.
What is the InChIKey of 4-amino-3-methoxy-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide?
The InChIKey is XLWQBACZLBJTHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5O2/c1-15-6(3-9)2-8(14)10-4-7-11-5-12-13-7/h5-6H,2-4,9H2,1H3,(H,10,14)(H,11,12,13).
What are the key properties of 4-amino-3-methoxy-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide?
4-amino-3-methoxy-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide has a molecular weight of 213.24 g/mol, XLogP of -1.22, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methoxy-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide is sourced from PubChem (CID 103155320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).