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

C14H14ClN5 — CID 2039780

IUPACN-[(2-chlorophenyl)methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
SMILESCc1cc(C)n2nc(NCc3ccccc3Cl)nc2n1
InChIInChI=1S/C14H14ClN5/c1-9-7-10(2)20-14(17-9)18-13(19-20)16-8-11-5-3-4-6-12(11)15/h3-7H,8H2,1-2H3,(H,16,19)
InChIKeyOBYXXQFBCVJPFP-UHFFFAOYSA-N
MW287.75 g/mol
LogP3.01
Rot. Bonds3

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

N-[(2-chlorophenyl)methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine (PubChem CID 2039780) has the molecular formula C14H14ClN5 and a molecular weight of 287.75 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
PubChem CID2039780
Molecular FormulaC14H14ClN5
Molecular Weight287.75 g/mol
Exact Mass287.09
IUPAC NameN-[(2-chlorophenyl)methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
SMILESCc1cc(C)n2nc(NCc3ccccc3Cl)nc2n1
InChIInChI=1S/C14H14ClN5/c1-9-7-10(2)20-14(17-9)18-13(19-20)16-8-11-5-3-4-6-12(11)15/h3-7H,8H2,1-2H3,(H,16,19)
InChIKeyOBYXXQFBCVJPFP-UHFFFAOYSA-N
XLogP3.01
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The IUPAC name of N-[(2-chlorophenyl)methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine (CID 2039780) is N-[(2-chlorophenyl)methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine is Cc1cc(C)n2nc(NCc3ccccc3Cl)nc2n1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The InChIKey is OBYXXQFBCVJPFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN5/c1-9-7-10(2)20-14(17-9)18-13(19-20)16-8-11-5-3-4-6-12(11)15/h3-7H,8H2,1-2H3,(H,16,19).
What are the key properties of N-[(2-chlorophenyl)methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
N-[(2-chlorophenyl)methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine has a molecular weight of 287.75 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine is sourced from PubChem (CID 2039780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).