N-[[3-(methoxymethyl)phenyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C15H17N5O — CID 60965953

IUPACN-[[3-(methoxymethyl)phenyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCOCc1cccc(CNc2cc(C)nc3ncnn23)c1
InChIInChI=1S/C15H17N5O/c1-11-6-14(20-15(19-11)17-10-18-20)16-8-12-4-3-5-13(7-12)9-21-2/h3-7,10,16H,8-9H2,1-2H3
InChIKeyISJQIILOPPQADB-UHFFFAOYSA-N
MW283.34 g/mol
LogP2.19
Rot. Bonds5

About N-[[3-(methoxymethyl)phenyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N-[[3-(methoxymethyl)phenyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 60965953) has the molecular formula C15H17N5O and a molecular weight of 283.34 g/mol. Its IUPAC name is N-[[3-(methoxymethyl)phenyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[[3-(methoxymethyl)phenyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID60965953
Molecular FormulaC15H17N5O
Molecular Weight283.34 g/mol
Exact Mass283.14
IUPAC NameN-[[3-(methoxymethyl)phenyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCOCc1cccc(CNc2cc(C)nc3ncnn23)c1
InChIInChI=1S/C15H17N5O/c1-11-6-14(20-15(19-11)17-10-18-20)16-8-12-4-3-5-13(7-12)9-21-2/h3-7,10,16H,8-9H2,1-2H3
InChIKeyISJQIILOPPQADB-UHFFFAOYSA-N
XLogP2.19
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[3-(dimethylamino)phenyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133279612
5-methyl-N-[[4-(3-methylphenyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133307758
N-[(2,3-dimethoxyphenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 60506261
2-[[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenol
CID 115598697
5-methyl-N-[2-(3-methylphenyl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 43816834
N-[(2-bromophenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 61401875
5-methyl-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 39771868
5-methyl-N-(3-phenylmethoxypropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 18095972
N-(2,2-diphenylethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 3228693
N-[(1-benzylimidazol-2-yl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133324128
N-[2-(6-methoxy-2-pyridinyl)ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 126809183
5-methyl-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 60502958

Frequently Asked Questions

What is the IUPAC name of N-[[3-(methoxymethyl)phenyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[[3-(methoxymethyl)phenyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 60965953) is N-[[3-(methoxymethyl)phenyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[[3-(methoxymethyl)phenyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[[3-(methoxymethyl)phenyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is COCc1cccc(CNc2cc(C)nc3ncnn23)c1.
What is the InChIKey of N-[[3-(methoxymethyl)phenyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is ISJQIILOPPQADB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c1-11-6-14(20-15(19-11)17-10-18-20)16-8-12-4-3-5-13(7-12)9-21-2/h3-7,10,16H,8-9H2,1-2H3.
What are the key properties of N-[[3-(methoxymethyl)phenyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-[[3-(methoxymethyl)phenyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 283.34 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(methoxymethyl)phenyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 60965953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).