N-(2-chloro-4-methylphenyl)-5-methyl-2-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C16H18ClN5 — CID 22431687

IUPACN-(2-chloro-4-methylphenyl)-5-methyl-2-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCCc1nc2nc(C)cc(Nc3ccc(C)cc3Cl)n2n1
InChIInChI=1S/C16H18ClN5/c1-4-5-14-20-16-18-11(3)9-15(22(16)21-14)19-13-7-6-10(2)8-12(13)17/h6-9,19H,4-5H2,1-3H3
InChIKeyAKLAZIMTEZMXMW-UHFFFAOYSA-N
MW315.81 g/mol
LogP4.09
Rot. Bonds4

About N-(2-chloro-4-methylphenyl)-5-methyl-2-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N-(2-chloro-4-methylphenyl)-5-methyl-2-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 22431687) has the molecular formula C16H18ClN5 and a molecular weight of 315.81 g/mol. Its IUPAC name is N-(2-chloro-4-methylphenyl)-5-methyl-2-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(2-chloro-4-methylphenyl)-5-methyl-2-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID22431687
Molecular FormulaC16H18ClN5
Molecular Weight315.81 g/mol
Exact Mass315.13
IUPAC NameN-(2-chloro-4-methylphenyl)-5-methyl-2-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCCc1nc2nc(C)cc(Nc3ccc(C)cc3Cl)n2n1
InChIInChI=1S/C16H18ClN5/c1-4-5-14-20-16-18-11(3)9-15(22(16)21-14)19-13-7-6-10(2)8-12(13)17/h6-9,19H,4-5H2,1-3H3
InChIKeyAKLAZIMTEZMXMW-UHFFFAOYSA-N
XLogP4.09
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.81
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylphenyl)-5-methyl-2-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-(2-chloro-4-methylphenyl)-5-methyl-2-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 22431687) is N-(2-chloro-4-methylphenyl)-5-methyl-2-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-(2-chloro-4-methylphenyl)-5-methyl-2-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-(2-chloro-4-methylphenyl)-5-methyl-2-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is CCCc1nc2nc(C)cc(Nc3ccc(C)cc3Cl)n2n1.
What is the InChIKey of N-(2-chloro-4-methylphenyl)-5-methyl-2-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is AKLAZIMTEZMXMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN5/c1-4-5-14-20-16-18-11(3)9-15(22(16)21-14)19-13-7-6-10(2)8-12(13)17/h6-9,19H,4-5H2,1-3H3.
What are the key properties of N-(2-chloro-4-methylphenyl)-5-methyl-2-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-(2-chloro-4-methylphenyl)-5-methyl-2-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 315.81 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methylphenyl)-5-methyl-2-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 22431687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).