1-[1-(carbamoylamino)-1-oxopropan-2-yl]-5-propan-2-yltriazole-4-carboxylic acid

C10H15N5O4 — CID 55029607

IUPAC1-[1-(carbamoylamino)-1-oxopropan-2-yl]-5-propan-2-yltriazole-4-carboxylic acid
SMILESCC(C)c1c(C(=O)O)nnn1C(C)C(=O)NC(N)=O
InChIInChI=1S/C10H15N5O4/c1-4(2)7-6(9(17)18)13-14-15(7)5(3)8(16)12-10(11)19/h4-5H,1-3H3,(H,17,18)(H3,11,12,16,19)
InChIKeyQNEKNJLDBCCNJP-UHFFFAOYSA-N
MW269.26 g/mol
LogP-0.14
Rot. Bonds4

About 1-[1-(carbamoylamino)-1-oxopropan-2-yl]-5-propan-2-yltriazole-4-carboxylic acid

1-[1-(carbamoylamino)-1-oxopropan-2-yl]-5-propan-2-yltriazole-4-carboxylic acid (PubChem CID 55029607) has the molecular formula C10H15N5O4 and a molecular weight of 269.26 g/mol. Its IUPAC name is 1-[1-(carbamoylamino)-1-oxopropan-2-yl]-5-propan-2-yltriazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[1-(carbamoylamino)-1-oxopropan-2-yl]-5-propan-2-yltriazole-4-carboxylic acid
PubChem CID55029607
Molecular FormulaC10H15N5O4
Molecular Weight269.26 g/mol
Exact Mass269.11
IUPAC Name1-[1-(carbamoylamino)-1-oxopropan-2-yl]-5-propan-2-yltriazole-4-carboxylic acid
SMILESCC(C)c1c(C(=O)O)nnn1C(C)C(=O)NC(N)=O
InChIInChI=1S/C10H15N5O4/c1-4(2)7-6(9(17)18)13-14-15(7)5(3)8(16)12-10(11)19/h4-5H,1-3H3,(H,17,18)(H3,11,12,16,19)
InChIKeyQNEKNJLDBCCNJP-UHFFFAOYSA-N
XLogP-0.14
TPSA140.20 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-[1-(carbamoylamino)-1-oxopropan-2-yl]-5-propan-2-yltriazole-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-(carbamoylamino)-1-oxopropan-2-yl]-5-propan-2-yltriazole-4-carboxylic acid?
The IUPAC name of 1-[1-(carbamoylamino)-1-oxopropan-2-yl]-5-propan-2-yltriazole-4-carboxylic acid (CID 55029607) is 1-[1-(carbamoylamino)-1-oxopropan-2-yl]-5-propan-2-yltriazole-4-carboxylic acid.
What is the SMILES notation for 1-[1-(carbamoylamino)-1-oxopropan-2-yl]-5-propan-2-yltriazole-4-carboxylic acid?
The canonical SMILES for 1-[1-(carbamoylamino)-1-oxopropan-2-yl]-5-propan-2-yltriazole-4-carboxylic acid is CC(C)c1c(C(=O)O)nnn1C(C)C(=O)NC(N)=O.
What is the InChIKey of 1-[1-(carbamoylamino)-1-oxopropan-2-yl]-5-propan-2-yltriazole-4-carboxylic acid?
The InChIKey is QNEKNJLDBCCNJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O4/c1-4(2)7-6(9(17)18)13-14-15(7)5(3)8(16)12-10(11)19/h4-5H,1-3H3,(H,17,18)(H3,11,12,16,19).
What are the key properties of 1-[1-(carbamoylamino)-1-oxopropan-2-yl]-5-propan-2-yltriazole-4-carboxylic acid?
1-[1-(carbamoylamino)-1-oxopropan-2-yl]-5-propan-2-yltriazole-4-carboxylic acid has a molecular weight of 269.26 g/mol, XLogP of -0.14, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(carbamoylamino)-1-oxopropan-2-yl]-5-propan-2-yltriazole-4-carboxylic acid is sourced from PubChem (CID 55029607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).