5-amino-N-[(4-chlorophenyl)methyl]-2-(furan-2-yl)-N-methyl-[1,2,4]triazolo[1,5-c]pyrimidine-7-carboxamide

C18H15ClN6O2 — CID 91186891

IUPAC5-amino-N-[(4-chlorophenyl)methyl]-2-(furan-2-yl)-N-methyl-[1,2,4]triazolo[1,5-c]pyrimidine-7-carboxamide
SMILESCN(Cc1ccc(Cl)cc1)C(=O)c1cc2nc(-c3ccco3)nn2c(N)n1
InChIInChI=1S/C18H15ClN6O2/c1-24(10-11-4-6-12(19)7-5-11)17(26)13-9-15-22-16(14-3-2-8-27-14)23-25(15)18(20)21-13/h2-9H,10H2,1H3,(H2,20,21)
InChIKeyMAVGKMGVLRVGTI-UHFFFAOYSA-N
MW382.81 g/mol
LogP2.89
Rot. Bonds4

About 5-amino-N-[(4-chlorophenyl)methyl]-2-(furan-2-yl)-N-methyl-[1,2,4]triazolo[1,5-c]pyrimidine-7-carboxamide

5-amino-N-[(4-chlorophenyl)methyl]-2-(furan-2-yl)-N-methyl-[1,2,4]triazolo[1,5-c]pyrimidine-7-carboxamide (PubChem CID 91186891) has the molecular formula C18H15ClN6O2 and a molecular weight of 382.81 g/mol. Its IUPAC name is 5-amino-N-[(4-chlorophenyl)methyl]-2-(furan-2-yl)-N-methyl-[1,2,4]triazolo[1,5-c]pyrimidine-7-carboxamide.

Molecular Properties

Compound Name5-amino-N-[(4-chlorophenyl)methyl]-2-(furan-2-yl)-N-methyl-[1,2,4]triazolo[1,5-c]pyrimidine-7-carboxamide
PubChem CID91186891
Molecular FormulaC18H15ClN6O2
Molecular Weight382.81 g/mol
Exact Mass382.09
IUPAC Name5-amino-N-[(4-chlorophenyl)methyl]-2-(furan-2-yl)-N-methyl-[1,2,4]triazolo[1,5-c]pyrimidine-7-carboxamide
SMILESCN(Cc1ccc(Cl)cc1)C(=O)c1cc2nc(-c3ccco3)nn2c(N)n1
InChIInChI=1S/C18H15ClN6O2/c1-24(10-11-4-6-12(19)7-5-11)17(26)13-9-15-22-16(14-3-2-8-27-14)23-25(15)18(20)21-13/h2-9H,10H2,1H3,(H2,20,21)
InChIKeyMAVGKMGVLRVGTI-UHFFFAOYSA-N
XLogP2.89
TPSA102.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.81
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(4-chlorophenyl)methyl]-2-(furan-2-yl)-N-methyl-[1,2,4]triazolo[1,5-c]pyrimidine-7-carboxamide?
The IUPAC name of 5-amino-N-[(4-chlorophenyl)methyl]-2-(furan-2-yl)-N-methyl-[1,2,4]triazolo[1,5-c]pyrimidine-7-carboxamide (CID 91186891) is 5-amino-N-[(4-chlorophenyl)methyl]-2-(furan-2-yl)-N-methyl-[1,2,4]triazolo[1,5-c]pyrimidine-7-carboxamide.
What is the SMILES notation for 5-amino-N-[(4-chlorophenyl)methyl]-2-(furan-2-yl)-N-methyl-[1,2,4]triazolo[1,5-c]pyrimidine-7-carboxamide?
The canonical SMILES for 5-amino-N-[(4-chlorophenyl)methyl]-2-(furan-2-yl)-N-methyl-[1,2,4]triazolo[1,5-c]pyrimidine-7-carboxamide is CN(Cc1ccc(Cl)cc1)C(=O)c1cc2nc(-c3ccco3)nn2c(N)n1.
What is the InChIKey of 5-amino-N-[(4-chlorophenyl)methyl]-2-(furan-2-yl)-N-methyl-[1,2,4]triazolo[1,5-c]pyrimidine-7-carboxamide?
The InChIKey is MAVGKMGVLRVGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN6O2/c1-24(10-11-4-6-12(19)7-5-11)17(26)13-9-15-22-16(14-3-2-8-27-14)23-25(15)18(20)21-13/h2-9H,10H2,1H3,(H2,20,21).
What are the key properties of 5-amino-N-[(4-chlorophenyl)methyl]-2-(furan-2-yl)-N-methyl-[1,2,4]triazolo[1,5-c]pyrimidine-7-carboxamide?
5-amino-N-[(4-chlorophenyl)methyl]-2-(furan-2-yl)-N-methyl-[1,2,4]triazolo[1,5-c]pyrimidine-7-carboxamide has a molecular weight of 382.81 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(4-chlorophenyl)methyl]-2-(furan-2-yl)-N-methyl-[1,2,4]triazolo[1,5-c]pyrimidine-7-carboxamide is sourced from PubChem (CID 91186891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).