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

C14H14ClN5O — CID 102918526

IUPAC5-chloro-N-[(4-methoxyphenyl)methyl]-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1ccc(CN(C)c2cc(Cl)nc3ncnn23)cc1
InChIInChI=1S/C14H14ClN5O/c1-19(8-10-3-5-11(21-2)6-4-10)13-7-12(15)18-14-16-9-17-20(13)14/h3-7,9H,8H2,1-2H3
InChIKeyXJKLRJWCGUWLRX-UHFFFAOYSA-N
MW303.75 g/mol
LogP2.42
Rot. Bonds4

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

5-chloro-N-[(4-methoxyphenyl)methyl]-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 102918526) has the molecular formula C14H14ClN5O and a molecular weight of 303.75 g/mol. Its IUPAC name is 5-chloro-N-[(4-methoxyphenyl)methyl]-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-chloro-N-[(4-methoxyphenyl)methyl]-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID102918526
Molecular FormulaC14H14ClN5O
Molecular Weight303.75 g/mol
Exact Mass303.09
IUPAC Name5-chloro-N-[(4-methoxyphenyl)methyl]-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1ccc(CN(C)c2cc(Cl)nc3ncnn23)cc1
InChIInChI=1S/C14H14ClN5O/c1-19(8-10-3-5-11(21-2)6-4-10)13-7-12(15)18-14-16-9-17-20(13)14/h3-7,9H,8H2,1-2H3
InChIKeyXJKLRJWCGUWLRX-UHFFFAOYSA-N
XLogP2.42
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,5-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 18191323
N-[[4-(difluoromethoxy)phenyl]methyl]-N,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 18191359
5-chloro-N-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918380
5-chloro-N-(2-ethoxyethyl)-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102919027
N-[(4-chloro-3-fluorophenyl)methyl]-5-(methoxymethyl)-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133431042
N-[(4-chloro-3-fluorophenyl)methyl]-N,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133410799
5-chloro-N-cyclobutyl-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102919185
5-chloro-N,N-bis(2-methylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918512
3-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-methylamino]-N-methylpropanamide
CID 106917443
5-chloro-N-methyl-N-(oxan-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918851
2-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-(2-methoxyethyl)amino]ethanol
CID 102919142
5-chloro-N-methyl-N-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918479

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(4-methoxyphenyl)methyl]-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-chloro-N-[(4-methoxyphenyl)methyl]-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 102918526) is 5-chloro-N-[(4-methoxyphenyl)methyl]-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-chloro-N-[(4-methoxyphenyl)methyl]-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-chloro-N-[(4-methoxyphenyl)methyl]-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is COc1ccc(CN(C)c2cc(Cl)nc3ncnn23)cc1.
What is the InChIKey of 5-chloro-N-[(4-methoxyphenyl)methyl]-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is XJKLRJWCGUWLRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN5O/c1-19(8-10-3-5-11(21-2)6-4-10)13-7-12(15)18-14-16-9-17-20(13)14/h3-7,9H,8H2,1-2H3.
What are the key properties of 5-chloro-N-[(4-methoxyphenyl)methyl]-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
5-chloro-N-[(4-methoxyphenyl)methyl]-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 303.75 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(4-methoxyphenyl)methyl]-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 102918526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).