5-(2,2-difluorocyclopropyl)-2-methyl-1,2,4-triazole-3-carboxamide

C7H8F2N4O — CID 175864609

IUPAC5-(2,2-difluorocyclopropyl)-2-methyl-1,2,4-triazole-3-carboxamide
SMILESCn1nc(C2CC2(F)F)nc1C(N)=O
InChIInChI=1S/C7H8F2N4O/c1-13-6(4(10)14)11-5(12-13)3-2-7(3,8)9/h3H,2H2,1H3,(H2,10,14)
InChIKeySBORATBMGUWFAO-UHFFFAOYSA-N
MW202.16 g/mol
LogP0.04
Rot. Bonds2

About 5-(2,2-difluorocyclopropyl)-2-methyl-1,2,4-triazole-3-carboxamide

5-(2,2-difluorocyclopropyl)-2-methyl-1,2,4-triazole-3-carboxamide (PubChem CID 175864609) has the molecular formula C7H8F2N4O and a molecular weight of 202.16 g/mol. Its IUPAC name is 5-(2,2-difluorocyclopropyl)-2-methyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name5-(2,2-difluorocyclopropyl)-2-methyl-1,2,4-triazole-3-carboxamide
PubChem CID175864609
Molecular FormulaC7H8F2N4O
Molecular Weight202.16 g/mol
Exact Mass202.07
IUPAC Name5-(2,2-difluorocyclopropyl)-2-methyl-1,2,4-triazole-3-carboxamide
SMILESCn1nc(C2CC2(F)F)nc1C(N)=O
InChIInChI=1S/C7H8F2N4O/c1-13-6(4(10)14)11-5(12-13)3-2-7(3,8)9/h3H,2H2,1H3,(H2,10,14)
InChIKeySBORATBMGUWFAO-UHFFFAOYSA-N
XLogP0.04
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.16
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,5-dimethyl-1H-1,2,4-triazole-3-carboxamide
CID 45084121
1,3-Dimethyl-1 H-1,2,4-triazole-5-carboxamide
CID 135289779
N-{[3-cyclopropyl-1-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-5-yl]methyl}acetamide
CID 72920556
2-[5-Methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetamide
CID 117913565
1-[(2,2-Difluorocyclopropyl)methyl]-1,2,4-triazole-3-carboxamide
CID 150815057
2-(Cyclopropylmethyl)-5-[(4,4-difluorocyclohexyl)methyl]-1,2,4-triazole-3-carboxamide
CID 175395400
2-(2,2-Difluoropropyl)-1,2,4-triazole-3-carboxamide
CID 175864468
2-Methyl-5-(trifluoromethyl)-1,2,4-triazole-3-carboxamide
CID 177049935
2-(3,5-diethyl-1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 71980989
2-(3,5-dicyclopropyl-1,2,4-triazol-1-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 132970846
N-(diaminomethylidene)-2,5-dimethyl-1,2,4-triazole-3-carboxamide
CID 20591092
2,5-Bis(2-methylpropyl)-1,2,4-triazole-3-carboxamide
CID 68964401

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-difluorocyclopropyl)-2-methyl-1,2,4-triazole-3-carboxamide?
The IUPAC name of 5-(2,2-difluorocyclopropyl)-2-methyl-1,2,4-triazole-3-carboxamide (CID 175864609) is 5-(2,2-difluorocyclopropyl)-2-methyl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 5-(2,2-difluorocyclopropyl)-2-methyl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 5-(2,2-difluorocyclopropyl)-2-methyl-1,2,4-triazole-3-carboxamide is Cn1nc(C2CC2(F)F)nc1C(N)=O.
What is the InChIKey of 5-(2,2-difluorocyclopropyl)-2-methyl-1,2,4-triazole-3-carboxamide?
The InChIKey is SBORATBMGUWFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N4O/c1-13-6(4(10)14)11-5(12-13)3-2-7(3,8)9/h3H,2H2,1H3,(H2,10,14).
What are the key properties of 5-(2,2-difluorocyclopropyl)-2-methyl-1,2,4-triazole-3-carboxamide?
5-(2,2-difluorocyclopropyl)-2-methyl-1,2,4-triazole-3-carboxamide has a molecular weight of 202.16 g/mol, XLogP of 0.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-difluorocyclopropyl)-2-methyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 175864609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).