N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C17H16ClN7O — CID 86969366

IUPACN-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCOCc1cc(NCc2cnn(-c3ccc(Cl)cc3)c2)n2ncnc2n1
InChIInChI=1S/C17H16ClN7O/c1-26-10-14-6-16(25-17(23-14)20-11-22-25)19-7-12-8-21-24(9-12)15-4-2-13(18)3-5-15/h2-6,8-9,11,19H,7,10H2,1H3
InChIKeyJVLAIJCZDYKOPL-UHFFFAOYSA-N
MW369.82 g/mol
LogP2.72
Rot. Bonds6

About N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 86969366) has the molecular formula C17H16ClN7O and a molecular weight of 369.82 g/mol. Its IUPAC name is N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID86969366
Molecular FormulaC17H16ClN7O
Molecular Weight369.82 g/mol
Exact Mass369.11
IUPAC NameN-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCOCc1cc(NCc2cnn(-c3ccc(Cl)cc3)c2)n2ncnc2n1
InChIInChI=1S/C17H16ClN7O/c1-26-10-14-6-16(25-17(23-14)20-11-22-25)19-7-12-8-21-24(9-12)15-4-2-13(18)3-5-15/h2-6,8-9,11,19H,7,10H2,1H3
InChIKeyJVLAIJCZDYKOPL-UHFFFAOYSA-N
XLogP2.72
TPSA82.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.82
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 86969366) is N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is COCc1cc(NCc2cnn(-c3ccc(Cl)cc3)c2)n2ncnc2n1.
What is the InChIKey of N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is JVLAIJCZDYKOPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN7O/c1-26-10-14-6-16(25-17(23-14)20-11-22-25)19-7-12-8-21-24(9-12)15-4-2-13(18)3-5-15/h2-6,8-9,11,19H,7,10H2,1H3.
What are the key properties of N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 369.82 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 86969366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).