N-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]-1H-1,2,4-triazole-5-carboxamide

C10H17N5O2 — CID 113409418

IUPACN-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]-1H-1,2,4-triazole-5-carboxamide
SMILESCC(C)CNC(=O)CN(C)C(=O)c1ncn[nH]1
InChIInChI=1S/C10H17N5O2/c1-7(2)4-11-8(16)5-15(3)10(17)9-12-6-13-14-9/h6-7H,4-5H2,1-3H3,(H,11,16)(H,12,13,14)
InChIKeyQLOQRRDMIPDBLS-UHFFFAOYSA-N
MW239.28 g/mol
LogP-0.35
Rot. Bonds5

About N-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]-1H-1,2,4-triazole-5-carboxamide

N-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]-1H-1,2,4-triazole-5-carboxamide (PubChem CID 113409418) has the molecular formula C10H17N5O2 and a molecular weight of 239.28 g/mol. Its IUPAC name is N-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]-1H-1,2,4-triazole-5-carboxamide
PubChem CID113409418
Molecular FormulaC10H17N5O2
Molecular Weight239.28 g/mol
Exact Mass239.14
IUPAC NameN-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]-1H-1,2,4-triazole-5-carboxamide
SMILESCC(C)CNC(=O)CN(C)C(=O)c1ncn[nH]1
InChIInChI=1S/C10H17N5O2/c1-7(2)4-11-8(16)5-15(3)10(17)9-12-6-13-14-9/h6-7H,4-5H2,1-3H3,(H,11,16)(H,12,13,14)
InChIKeyQLOQRRDMIPDBLS-UHFFFAOYSA-N
XLogP-0.35
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of N-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]-1H-1,2,4-triazole-5-carboxamide (CID 113409418) is N-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for N-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for N-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]-1H-1,2,4-triazole-5-carboxamide is CC(C)CNC(=O)CN(C)C(=O)c1ncn[nH]1.
What is the InChIKey of N-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is QLOQRRDMIPDBLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2/c1-7(2)4-11-8(16)5-15(3)10(17)9-12-6-13-14-9/h6-7H,4-5H2,1-3H3,(H,11,16)(H,12,13,14).
What are the key properties of N-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]-1H-1,2,4-triazole-5-carboxamide?
N-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 239.28 g/mol, XLogP of -0.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 113409418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).