N-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1H-1,2,4-triazole-5-carboxamide

C10H14N6O2 — CID 56701576

IUPACN-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1H-1,2,4-triazole-5-carboxamide
SMILESCC(C)c1noc(CN(C)C(=O)c2ncn[nH]2)n1
InChIInChI=1S/C10H14N6O2/c1-6(2)8-13-7(18-15-8)4-16(3)10(17)9-11-5-12-14-9/h5-6H,4H2,1-3H3,(H,11,12,14)
InChIKeyHKHQDVRENVDSOY-UHFFFAOYSA-N
MW250.26 g/mol
LogP0.58
Rot. Bonds4

About N-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1H-1,2,4-triazole-5-carboxamide

N-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1H-1,2,4-triazole-5-carboxamide (PubChem CID 56701576) has the molecular formula C10H14N6O2 and a molecular weight of 250.26 g/mol. Its IUPAC name is N-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1H-1,2,4-triazole-5-carboxamide
PubChem CID56701576
Molecular FormulaC10H14N6O2
Molecular Weight250.26 g/mol
Exact Mass250.12
IUPAC NameN-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1H-1,2,4-triazole-5-carboxamide
SMILESCC(C)c1noc(CN(C)C(=O)c2ncn[nH]2)n1
InChIInChI=1S/C10H14N6O2/c1-6(2)8-13-7(18-15-8)4-16(3)10(17)9-11-5-12-14-9/h5-6H,4H2,1-3H3,(H,11,12,14)
InChIKeyHKHQDVRENVDSOY-UHFFFAOYSA-N
XLogP0.58
TPSA100.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of N-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1H-1,2,4-triazole-5-carboxamide (CID 56701576) is N-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for N-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for N-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1H-1,2,4-triazole-5-carboxamide is CC(C)c1noc(CN(C)C(=O)c2ncn[nH]2)n1.
What is the InChIKey of N-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is HKHQDVRENVDSOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6O2/c1-6(2)8-13-7(18-15-8)4-16(3)10(17)9-11-5-12-14-9/h5-6H,4H2,1-3H3,(H,11,12,14).
What are the key properties of N-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1H-1,2,4-triazole-5-carboxamide?
N-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 250.26 g/mol, XLogP of 0.58, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 56701576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).