2-[[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]amino]acetic acid

C7H11N5O3 — CID 64519833

IUPAC2-[[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]amino]acetic acid
SMILESCN(Cc1ncn[nH]1)C(=O)NCC(=O)O
InChIInChI=1S/C7H11N5O3/c1-12(3-5-9-4-10-11-5)7(15)8-2-6(13)14/h4H,2-3H2,1H3,(H,8,15)(H,13,14)(H,9,10,11)
InChIKeyZCTIASPJKBXWFI-UHFFFAOYSA-N
MW213.20 g/mol
LogP-0.97
Rot. Bonds4

About 2-[[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]amino]acetic acid

2-[[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]amino]acetic acid (PubChem CID 64519833) has the molecular formula C7H11N5O3 and a molecular weight of 213.20 g/mol. Its IUPAC name is 2-[[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]amino]acetic acid
PubChem CID64519833
Molecular FormulaC7H11N5O3
Molecular Weight213.20 g/mol
Exact Mass213.09
IUPAC Name2-[[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]amino]acetic acid
SMILESCN(Cc1ncn[nH]1)C(=O)NCC(=O)O
InChIInChI=1S/C7H11N5O3/c1-12(3-5-9-4-10-11-5)7(15)8-2-6(13)14/h4H,2-3H2,1H3,(H,8,15)(H,13,14)(H,9,10,11)
InChIKeyZCTIASPJKBXWFI-UHFFFAOYSA-N
XLogP-0.97
TPSA111.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 5-0.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]amino]butanoic acid
CID 64519264
2,2-dimethyl-3-[[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]amino]propanoic acid
CID 113308290
3-methyl-3-[[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]amino]butanoic acid
CID 64702082
2-methyl-3-[[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]amino]butanoic acid
CID 113416605
(2R)-3-hydroxy-2-[[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]amino]propanoic acid
CID 80757816
4-methyl-2-[[[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]amino]methyl]-1,3-thiazole-5-carboxylic acid
CID 64517909
N-methyl-2-(propan-2-ylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 64518263
2-anilino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 64517287
(2S)-2-[[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]amino]hexanoic acid
CID 107146183
4-methyl-3-[[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]amino]benzoic acid
CID 64517335
6-[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]pyridine-2-carboxylic acid
CID 64519091
3-(2-chlorophenyl)-1-methyl-1-(1H-1,2,4-triazol-5-ylmethyl)urea
CID 64512474

Frequently Asked Questions

What is the IUPAC name of 2-[[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-[[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]amino]acetic acid (CID 64519833) is 2-[[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]amino]acetic acid is CN(Cc1ncn[nH]1)C(=O)NCC(=O)O.
What is the InChIKey of 2-[[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]amino]acetic acid?
The InChIKey is ZCTIASPJKBXWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5O3/c1-12(3-5-9-4-10-11-5)7(15)8-2-6(13)14/h4H,2-3H2,1H3,(H,8,15)(H,13,14)(H,9,10,11).
What are the key properties of 2-[[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]amino]acetic acid?
2-[[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]amino]acetic acid has a molecular weight of 213.20 g/mol, XLogP of -0.97, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 64519833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).