N-(1,3-difluoro-2-methylpropan-2-yl)-5-(dimethylamino)-4-methyl-1,2,4-triazole-3-carboxamide

C10H17F2N5O — CID 14772881

IUPACN-(1,3-difluoro-2-methylpropan-2-yl)-5-(dimethylamino)-4-methyl-1,2,4-triazole-3-carboxamide
SMILESCN(C)c1nnc(C(=O)NC(C)(CF)CF)n1C
InChIInChI=1S/C10H17F2N5O/c1-10(5-11,6-12)13-8(18)7-14-15-9(16(2)3)17(7)4/h5-6H2,1-4H3,(H,13,18)
InChIKeyLMVULOGBNMYKFE-UHFFFAOYSA-N
MW261.28 g/mol
LogP0.31
Rot. Bonds5

About N-(1,3-difluoro-2-methylpropan-2-yl)-5-(dimethylamino)-4-methyl-1,2,4-triazole-3-carboxamide

N-(1,3-difluoro-2-methylpropan-2-yl)-5-(dimethylamino)-4-methyl-1,2,4-triazole-3-carboxamide (PubChem CID 14772881) has the molecular formula C10H17F2N5O and a molecular weight of 261.28 g/mol. Its IUPAC name is N-(1,3-difluoro-2-methylpropan-2-yl)-5-(dimethylamino)-4-methyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-difluoro-2-methylpropan-2-yl)-5-(dimethylamino)-4-methyl-1,2,4-triazole-3-carboxamide
PubChem CID14772881
Molecular FormulaC10H17F2N5O
Molecular Weight261.28 g/mol
Exact Mass261.14
IUPAC NameN-(1,3-difluoro-2-methylpropan-2-yl)-5-(dimethylamino)-4-methyl-1,2,4-triazole-3-carboxamide
SMILESCN(C)c1nnc(C(=O)NC(C)(CF)CF)n1C
InChIInChI=1S/C10H17F2N5O/c1-10(5-11,6-12)13-8(18)7-14-15-9(16(2)3)17(7)4/h5-6H2,1-4H3,(H,13,18)
InChIKeyLMVULOGBNMYKFE-UHFFFAOYSA-N
XLogP0.31
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 47284794
2-(tert-butylamino)-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone
CID 78998720
N-butan-2-yl-5-(dimethylamino)-4-methyl-1,2,4-triazole-3-carboxamide
CID 14772884
5-(dimethylamino)-4-methyl-N-propan-2-yl-1,2,4-triazole-3-carboxamide
CID 14772885
5-(dimethylamino)-N-ethyl-4-methyl-1,2,4-triazole-3-carboxamide
CID 14796599
N-butan-2-yl-4-methyl-5-(methylamino)-1,2,4-triazole-3-carboxamide
CID 14852966
4-methyl-5-(methylamino)-N-propan-2-yl-1,2,4-triazole-3-carboxamide
CID 14852971
4-methyl-5-(methylamino)-N-(2-methylpropyl)-1,2,4-triazole-3-carboxamide
CID 14852979
N-tert-butyl-4-propan-2-yl-5-(propan-2-ylamino)-1,2,4-triazole-3-carboxamide
CID 14852995
N-Tert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-A]pyrazine-3-carboxamide
CID 53393360
4-Methyl-5-[methyl(2-methylpropyl)amino]-1,2,4-triazole-3-carboxamide
CID 140367159
2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylamino]-N-propan-2-ylacetamide
CID 43567868

Frequently Asked Questions

What is the IUPAC name of N-(1,3-difluoro-2-methylpropan-2-yl)-5-(dimethylamino)-4-methyl-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-(1,3-difluoro-2-methylpropan-2-yl)-5-(dimethylamino)-4-methyl-1,2,4-triazole-3-carboxamide (CID 14772881) is N-(1,3-difluoro-2-methylpropan-2-yl)-5-(dimethylamino)-4-methyl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-(1,3-difluoro-2-methylpropan-2-yl)-5-(dimethylamino)-4-methyl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-(1,3-difluoro-2-methylpropan-2-yl)-5-(dimethylamino)-4-methyl-1,2,4-triazole-3-carboxamide is CN(C)c1nnc(C(=O)NC(C)(CF)CF)n1C.
What is the InChIKey of N-(1,3-difluoro-2-methylpropan-2-yl)-5-(dimethylamino)-4-methyl-1,2,4-triazole-3-carboxamide?
The InChIKey is LMVULOGBNMYKFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2N5O/c1-10(5-11,6-12)13-8(18)7-14-15-9(16(2)3)17(7)4/h5-6H2,1-4H3,(H,13,18).
What are the key properties of N-(1,3-difluoro-2-methylpropan-2-yl)-5-(dimethylamino)-4-methyl-1,2,4-triazole-3-carboxamide?
N-(1,3-difluoro-2-methylpropan-2-yl)-5-(dimethylamino)-4-methyl-1,2,4-triazole-3-carboxamide has a molecular weight of 261.28 g/mol, XLogP of 0.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-difluoro-2-methylpropan-2-yl)-5-(dimethylamino)-4-methyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 14772881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).