3-amino-N-methyl-N-[2-oxo-2-(propylamino)ethyl]-1H-1,2,4-triazole-5-carboxamide

C9H16N6O2 — CID 62808641

IUPAC3-amino-N-methyl-N-[2-oxo-2-(propylamino)ethyl]-1H-1,2,4-triazole-5-carboxamide
SMILESCCCNC(=O)CN(C)C(=O)c1nc(N)n[nH]1
InChIInChI=1S/C9H16N6O2/c1-3-4-11-6(16)5-15(2)8(17)7-12-9(10)14-13-7/h3-5H2,1-2H3,(H,11,16)(H3,10,12,13,14)
InChIKeyMFVGEIBVDNPBGN-UHFFFAOYSA-N
MW240.27 g/mol
LogP-1.01
Rot. Bonds5

About 3-amino-N-methyl-N-[2-oxo-2-(propylamino)ethyl]-1H-1,2,4-triazole-5-carboxamide

3-amino-N-methyl-N-[2-oxo-2-(propylamino)ethyl]-1H-1,2,4-triazole-5-carboxamide (PubChem CID 62808641) has the molecular formula C9H16N6O2 and a molecular weight of 240.27 g/mol. Its IUPAC name is 3-amino-N-methyl-N-[2-oxo-2-(propylamino)ethyl]-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-methyl-N-[2-oxo-2-(propylamino)ethyl]-1H-1,2,4-triazole-5-carboxamide
PubChem CID62808641
Molecular FormulaC9H16N6O2
Molecular Weight240.27 g/mol
Exact Mass240.13
IUPAC Name3-amino-N-methyl-N-[2-oxo-2-(propylamino)ethyl]-1H-1,2,4-triazole-5-carboxamide
SMILESCCCNC(=O)CN(C)C(=O)c1nc(N)n[nH]1
InChIInChI=1S/C9H16N6O2/c1-3-4-11-6(16)5-15(2)8(17)7-12-9(10)14-13-7/h3-5H2,1-2H3,(H,11,16)(H3,10,12,13,14)
InChIKeyMFVGEIBVDNPBGN-UHFFFAOYSA-N
XLogP-1.01
TPSA117.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 5-1.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-N-[2-oxo-2-(propylamino)ethyl]-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of 3-amino-N-methyl-N-[2-oxo-2-(propylamino)ethyl]-1H-1,2,4-triazole-5-carboxamide (CID 62808641) is 3-amino-N-methyl-N-[2-oxo-2-(propylamino)ethyl]-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-methyl-N-[2-oxo-2-(propylamino)ethyl]-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for 3-amino-N-methyl-N-[2-oxo-2-(propylamino)ethyl]-1H-1,2,4-triazole-5-carboxamide is CCCNC(=O)CN(C)C(=O)c1nc(N)n[nH]1.
What is the InChIKey of 3-amino-N-methyl-N-[2-oxo-2-(propylamino)ethyl]-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is MFVGEIBVDNPBGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N6O2/c1-3-4-11-6(16)5-15(2)8(17)7-12-9(10)14-13-7/h3-5H2,1-2H3,(H,11,16)(H3,10,12,13,14).
What are the key properties of 3-amino-N-methyl-N-[2-oxo-2-(propylamino)ethyl]-1H-1,2,4-triazole-5-carboxamide?
3-amino-N-methyl-N-[2-oxo-2-(propylamino)ethyl]-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 240.27 g/mol, XLogP of -1.01, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-N-[2-oxo-2-(propylamino)ethyl]-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 62808641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).