N-(2,2-difluoro-3-hydroxypropyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

C10H11F2N5O2 — CID 106168474

IUPACN-(2,2-difluoro-3-hydroxypropyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)NCC(F)(F)CO)cnc2ncnn12
InChIInChI=1S/C10H11F2N5O2/c1-6-7(2-13-9-15-5-16-17(6)9)8(19)14-3-10(11,12)4-18/h2,5,18H,3-4H2,1H3,(H,14,19)
InChIKeyYGCDGFVIJLHWEC-UHFFFAOYSA-N
MW271.23 g/mol
LogP-0.21
Rot. Bonds4

About N-(2,2-difluoro-3-hydroxypropyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

N-(2,2-difluoro-3-hydroxypropyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 106168474) has the molecular formula C10H11F2N5O2 and a molecular weight of 271.23 g/mol. Its IUPAC name is N-(2,2-difluoro-3-hydroxypropyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxypropyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID106168474
Molecular FormulaC10H11F2N5O2
Molecular Weight271.23 g/mol
Exact Mass271.09
IUPAC NameN-(2,2-difluoro-3-hydroxypropyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)NCC(F)(F)CO)cnc2ncnn12
InChIInChI=1S/C10H11F2N5O2/c1-6-7(2-13-9-15-5-16-17(6)9)8(19)14-3-10(11,12)4-18/h2,5,18H,3-4H2,1H3,(H,14,19)
InChIKeyYGCDGFVIJLHWEC-UHFFFAOYSA-N
XLogP-0.21
TPSA92.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.23
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,2-difluoroethyl)-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 134795310
[(3S,4S)-3-fluoro-4-hydroxypyrrolidin-1-yl]-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone
CID 164642603
N-(3-methylbutyl)-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 59580051
N-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 90974286
7-Methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 91436729
N-(3-hydroxypropyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide
CID 140802875
3-Methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 141038892
5-Methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 141038900
7-(3-methoxypropyl)pyrido[3,4-e][1,2,4]triazolo[1,5-a]pyrimidin-6(7H)-one
CID 16766073
N-[2-(5-bromopyrimidin-2-yl)ethyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide
CID 11960593
4-Methylpiperazinyl 7-methyl-2-(trifluoromethyl)(8-hydro-1,2,4-triazolo[1,5-a] pyrimidin-6-yl) ketone
CID 16490495
[7-Methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-piperidin-1-ylmethanone
CID 17122203

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (CID 106168474) is N-(2,2-difluoro-3-hydroxypropyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxypropyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-(2,2-difluoro-3-hydroxypropyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is Cc1c(C(=O)NCC(F)(F)CO)cnc2ncnn12.
What is the InChIKey of N-(2,2-difluoro-3-hydroxypropyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is YGCDGFVIJLHWEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2N5O2/c1-6-7(2-13-9-15-5-16-17(6)9)8(19)14-3-10(11,12)4-18/h2,5,18H,3-4H2,1H3,(H,14,19).
What are the key properties of N-(2,2-difluoro-3-hydroxypropyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
N-(2,2-difluoro-3-hydroxypropyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 271.23 g/mol, XLogP of -0.21, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-3-hydroxypropyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 106168474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).