2-[propyl-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]amino]acetic acid

C10H17N5O3 — CID 64530196

IUPAC2-[propyl-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]amino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)NCCc1ncn[nH]1
InChIInChI=1S/C10H17N5O3/c1-2-5-15(6-9(16)17)10(18)11-4-3-8-12-7-13-14-8/h7H,2-6H2,1H3,(H,11,18)(H,16,17)(H,12,13,14)
InChIKeyCFSSQMGJZNSNON-UHFFFAOYSA-N
MW255.28 g/mol
LogP-0.15
Rot. Bonds7

About 2-[propyl-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]amino]acetic acid

2-[propyl-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]amino]acetic acid (PubChem CID 64530196) has the molecular formula C10H17N5O3 and a molecular weight of 255.28 g/mol. Its IUPAC name is 2-[propyl-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[propyl-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]amino]acetic acid
PubChem CID64530196
Molecular FormulaC10H17N5O3
Molecular Weight255.28 g/mol
Exact Mass255.13
IUPAC Name2-[propyl-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]amino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)NCCc1ncn[nH]1
InChIInChI=1S/C10H17N5O3/c1-2-5-15(6-9(16)17)10(18)11-4-3-8-12-7-13-14-8/h7H,2-6H2,1H3,(H,11,18)(H,16,17)(H,12,13,14)
InChIKeyCFSSQMGJZNSNON-UHFFFAOYSA-N
XLogP-0.15
TPSA111.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 5-0.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[carboxymethyl-[3-(1H-1,2,4-triazol-5-yl)propylcarbamoyl]amino]acetic acid
CID 64530785
2-[2-methoxyethyl-[3-(1H-1,2,4-triazol-5-yl)propylcarbamoyl]amino]acetic acid
CID 79269696
1,1-dimethyl-3-[2-(1H-1,2,4-triazol-5-yl)ethyl]urea
CID 79153968
2-[(2-amino-2-oxoethyl)-[3-(1H-1,2,4-triazol-5-yl)propylcarbamoyl]amino]acetic acid
CID 107438866
4-[propan-2-yl-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]amino]butanoic acid
CID 64530398
2-[butylcarbamoyl(propyl)amino]acetic acid
CID 61008492
2-methyl-3-[methyl-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]amino]propanoic acid
CID 64530195
2-[2-acetamidoethylcarbamoyl(propyl)amino]acetic acid
CID 61201140
N-[2-(1H-1,2,4-triazol-5-yl)ethyl]dodecanamide
CID 65426736
1-cyclopentyl-1-methyl-3-[2-(1H-1,2,4-triazol-5-yl)ethyl]urea
CID 131960676
(2S)-2-amino-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]butanamide
CID 79023094
2-[methyl(pyrimidin-2-yl)amino]-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 64530410

Frequently Asked Questions

What is the IUPAC name of 2-[propyl-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]amino]acetic acid?
The IUPAC name of 2-[propyl-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]amino]acetic acid (CID 64530196) is 2-[propyl-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[propyl-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]amino]acetic acid?
The canonical SMILES for 2-[propyl-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]amino]acetic acid is CCCN(CC(=O)O)C(=O)NCCc1ncn[nH]1.
What is the InChIKey of 2-[propyl-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]amino]acetic acid?
The InChIKey is CFSSQMGJZNSNON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O3/c1-2-5-15(6-9(16)17)10(18)11-4-3-8-12-7-13-14-8/h7H,2-6H2,1H3,(H,11,18)(H,16,17)(H,12,13,14).
What are the key properties of 2-[propyl-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]amino]acetic acid?
2-[propyl-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]amino]acetic acid has a molecular weight of 255.28 g/mol, XLogP of -0.15, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[propyl-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]amino]acetic acid is sourced from PubChem (CID 64530196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).