3-amino-2-methoxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propanamide

C8H15N5O2 — CID 106112977

IUPAC3-amino-2-methoxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
SMILESCOC(CN)C(=O)NCCc1ncn[nH]1
InChIInChI=1S/C8H15N5O2/c1-15-6(4-9)8(14)10-3-2-7-11-5-12-13-7/h5-6H,2-4,9H2,1H3,(H,10,14)(H,11,12,13)
InChIKeyIXGLVBFRSZBNIS-UHFFFAOYSA-N
MW213.24 g/mol
LogP-1.56
Rot. Bonds6

About 3-amino-2-methoxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propanamide

3-amino-2-methoxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propanamide (PubChem CID 106112977) has the molecular formula C8H15N5O2 and a molecular weight of 213.24 g/mol. Its IUPAC name is 3-amino-2-methoxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-amino-2-methoxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
PubChem CID106112977
Molecular FormulaC8H15N5O2
Molecular Weight213.24 g/mol
Exact Mass213.12
IUPAC Name3-amino-2-methoxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
SMILESCOC(CN)C(=O)NCCc1ncn[nH]1
InChIInChI=1S/C8H15N5O2/c1-15-6(4-9)8(14)10-3-2-7-11-5-12-13-7/h5-6H,2-4,9H2,1H3,(H,10,14)(H,11,12,13)
InChIKeyIXGLVBFRSZBNIS-UHFFFAOYSA-N
XLogP-1.56
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 ≤ 5-1.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-3-methoxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 81102196
(2S)-2-amino-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]butanamide
CID 79023094
methyl 2-oxo-2-[2-(1H-1,2,4-triazol-5-yl)ethylamino]acetate
CID 112617333
2-amino-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]butanediamide
CID 64529554
2-methoxy-2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 103725332
2-amino-N-[2-oxo-2-[2-(1H-1,2,4-triazol-5-yl)ethylamino]ethyl]acetamide
CID 64532139
6-amino-2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]heptanamide
CID 65291250
1,1-dimethyl-3-[2-(1H-1,2,4-triazol-5-yl)ethyl]urea
CID 79153968
3-amino-2-methoxy-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]propanamide
CID 106113202
3-amino-2-methoxy-N-[2-(1,3-thiazol-4-yl)ethyl]propanamide
CID 106112900
4-amino-3-methoxy-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide
CID 103155320
2-(2-methoxyphenyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 64545846

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methoxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propanamide?
The IUPAC name of 3-amino-2-methoxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propanamide (CID 106112977) is 3-amino-2-methoxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propanamide.
What is the SMILES notation for 3-amino-2-methoxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propanamide?
The canonical SMILES for 3-amino-2-methoxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propanamide is COC(CN)C(=O)NCCc1ncn[nH]1.
What is the InChIKey of 3-amino-2-methoxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propanamide?
The InChIKey is IXGLVBFRSZBNIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5O2/c1-15-6(4-9)8(14)10-3-2-7-11-5-12-13-7/h5-6H,2-4,9H2,1H3,(H,10,14)(H,11,12,13).
What are the key properties of 3-amino-2-methoxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propanamide?
3-amino-2-methoxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propanamide has a molecular weight of 213.24 g/mol, XLogP of -1.56, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methoxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propanamide is sourced from PubChem (CID 106112977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).