N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C16H17F2N5O — CID 138000151

IUPACN-cyclopropyl-N-[(2,4-difluorophenyl)methyl]-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(c1nc2n(n1)CCCN2)N(Cc1ccc(F)cc1F)C1CC1
InChIInChI=1S/C16H17F2N5O/c17-11-3-2-10(13(18)8-11)9-22(12-4-5-12)15(24)14-20-16-19-6-1-7-23(16)21-14/h2-3,8,12H,1,4-7,9H2,(H,19,20,21)
InChIKeyJXEYIHKZXODYJO-UHFFFAOYSA-N
MW333.34 g/mol
LogP2.18
Rot. Bonds4

About N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 138000151) has the molecular formula C16H17F2N5O and a molecular weight of 333.34 g/mol. Its IUPAC name is N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(2,4-difluorophenyl)methyl]-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID138000151
Molecular FormulaC16H17F2N5O
Molecular Weight333.34 g/mol
Exact Mass333.14
IUPAC NameN-cyclopropyl-N-[(2,4-difluorophenyl)methyl]-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(c1nc2n(n1)CCCN2)N(Cc1ccc(F)cc1F)C1CC1
InChIInChI=1S/C16H17F2N5O/c17-11-3-2-10(13(18)8-11)9-22(12-4-5-12)15(24)14-20-16-19-6-1-7-23(16)21-14/h2-3,8,12H,1,4-7,9H2,(H,19,20,21)
InChIKeyJXEYIHKZXODYJO-UHFFFAOYSA-N
XLogP2.18
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 138000151) is N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is O=C(c1nc2n(n1)CCCN2)N(Cc1ccc(F)cc1F)C1CC1.
What is the InChIKey of N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is JXEYIHKZXODYJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N5O/c17-11-3-2-10(13(18)8-11)9-22(12-4-5-12)15(24)14-20-16-19-6-1-7-23(16)21-14/h2-3,8,12H,1,4-7,9H2,(H,19,20,21).
What are the key properties of N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 333.34 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 138000151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).