(2R)-2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-carbamoylpropanamide

C7H12N6O2S — CID 7845202

IUPAC(2R)-2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-carbamoylpropanamide
SMILESCc1nnc(S[C@H](C)C(=O)NC(N)=O)n1N
InChIInChI=1S/C7H12N6O2S/c1-3(5(14)10-6(8)15)16-7-12-11-4(2)13(7)9/h3H,9H2,1-2H3,(H3,8,10,14,15)/t3-/m1/s1
InChIKeyTZDMYWQRYAOQGL-GSVOUGTGSA-N
MW244.28 g/mol
LogP-1.02
Rot. Bonds3

About (2R)-2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-carbamoylpropanamide

(2R)-2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-carbamoylpropanamide (PubChem CID 7845202) has the molecular formula C7H12N6O2S and a molecular weight of 244.28 g/mol. Its IUPAC name is (2R)-2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-carbamoylpropanamide.

Molecular Properties

Compound Name(2R)-2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-carbamoylpropanamide
PubChem CID7845202
Molecular FormulaC7H12N6O2S
Molecular Weight244.28 g/mol
Exact Mass244.07
IUPAC Name(2R)-2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-carbamoylpropanamide
SMILESCc1nnc(S[C@H](C)C(=O)NC(N)=O)n1N
InChIInChI=1S/C7H12N6O2S/c1-3(5(14)10-6(8)15)16-7-12-11-4(2)13(7)9/h3H,9H2,1-2H3,(H3,8,10,14,15)/t3-/m1/s1
InChIKeyTZDMYWQRYAOQGL-GSVOUGTGSA-N
XLogP-1.02
TPSA128.92 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.28
LogP ≤ 5-1.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-carbamoylpropanamide?
The IUPAC name of (2R)-2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-carbamoylpropanamide (CID 7845202) is (2R)-2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-carbamoylpropanamide.
What is the SMILES notation for (2R)-2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-carbamoylpropanamide?
The canonical SMILES for (2R)-2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-carbamoylpropanamide is Cc1nnc(S[C@H](C)C(=O)NC(N)=O)n1N.
What is the InChIKey of (2R)-2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-carbamoylpropanamide?
The InChIKey is TZDMYWQRYAOQGL-GSVOUGTGSA-N. The full InChI is InChI=1S/C7H12N6O2S/c1-3(5(14)10-6(8)15)16-7-12-11-4(2)13(7)9/h3H,9H2,1-2H3,(H3,8,10,14,15)/t3-/m1/s1.
What are the key properties of (2R)-2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-carbamoylpropanamide?
(2R)-2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-carbamoylpropanamide has a molecular weight of 244.28 g/mol, XLogP of -1.02, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-carbamoylpropanamide is sourced from PubChem (CID 7845202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).