N-(3-chloro-4-methoxyphenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C14H14ClN5O — CID 5308644

IUPACN-(3-chloro-4-methoxyphenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1ccc(Nc2cc(C)nc3nc(C)nn23)cc1Cl
InChIInChI=1S/C14H14ClN5O/c1-8-6-13(20-14(16-8)17-9(2)19-20)18-10-4-5-12(21-3)11(15)7-10/h4-7,18H,1-3H3
InChIKeyFRIWAGDAJRCCHM-UHFFFAOYSA-N
MW303.75 g/mol
LogP3.15
Rot. Bonds3

About N-(3-chloro-4-methoxyphenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N-(3-chloro-4-methoxyphenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 5308644) has the molecular formula C14H14ClN5O and a molecular weight of 303.75 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID5308644
Molecular FormulaC14H14ClN5O
Molecular Weight303.75 g/mol
Exact Mass303.09
IUPAC NameN-(3-chloro-4-methoxyphenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1ccc(Nc2cc(C)nc3nc(C)nn23)cc1Cl
InChIInChI=1S/C14H14ClN5O/c1-8-6-13(20-14(16-8)17-9(2)19-20)18-10-4-5-12(21-3)11(15)7-10/h4-7,18H,1-3H3
InChIKeyFRIWAGDAJRCCHM-UHFFFAOYSA-N
XLogP3.15
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 5308644) is N-(3-chloro-4-methoxyphenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is COc1ccc(Nc2cc(C)nc3nc(C)nn23)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is FRIWAGDAJRCCHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN5O/c1-8-6-13(20-14(16-8)17-9(2)19-20)18-10-4-5-12(21-3)11(15)7-10/h4-7,18H,1-3H3.
What are the key properties of N-(3-chloro-4-methoxyphenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-(3-chloro-4-methoxyphenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 303.75 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 5308644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).