5-chloro-N-[(2-methoxy-4-pyridinyl)methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C13H13ClN6O — CID 103076603

IUPAC5-chloro-N-[(2-methoxy-4-pyridinyl)methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1cc(CNc2c(C)c(Cl)nc3ncnn23)ccn1
InChIInChI=1S/C13H13ClN6O/c1-8-11(14)19-13-17-7-18-20(13)12(8)16-6-9-3-4-15-10(5-9)21-2/h3-5,7,16H,6H2,1-2H3
InChIKeyHBSGGGPBLSIIJM-UHFFFAOYSA-N
MW304.74 g/mol
LogP2.10
Rot. Bonds4

About 5-chloro-N-[(2-methoxy-4-pyridinyl)methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

5-chloro-N-[(2-methoxy-4-pyridinyl)methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 103076603) has the molecular formula C13H13ClN6O and a molecular weight of 304.74 g/mol. Its IUPAC name is 5-chloro-N-[(2-methoxy-4-pyridinyl)methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-chloro-N-[(2-methoxy-4-pyridinyl)methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID103076603
Molecular FormulaC13H13ClN6O
Molecular Weight304.74 g/mol
Exact Mass304.08
IUPAC Name5-chloro-N-[(2-methoxy-4-pyridinyl)methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1cc(CNc2c(C)c(Cl)nc3ncnn23)ccn1
InChIInChI=1S/C13H13ClN6O/c1-8-11(14)19-13-17-7-18-20(13)12(8)16-6-9-3-4-15-10(5-9)21-2/h3-5,7,16H,6H2,1-2H3
InChIKeyHBSGGGPBLSIIJM-UHFFFAOYSA-N
XLogP2.10
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.74
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-chloro-N-[(2-methoxy-4-pyridinyl)methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine with MolForge

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Related Compounds

N-benzyl-5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 103076180
5-chloro-N-[(4-ethylphenyl)methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 106900563
4-[[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]benzonitrile
CID 103076555
5-chloro-N-[(2,5-difluorophenyl)methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 103076653
6-chloro-2-ethyl-N-[(2-methoxy-4-pyridinyl)methyl]-5-methylpyrimidin-4-amine
CID 79556339
5-chloro-6-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 114128814
5-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 106038078
methyl 3-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanoate
CID 103076311
5-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 103076767
5-chloro-6-methyl-N-pentyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 103076184
3,5,6-trichloro-N-[(2-methoxy-4-pyridinyl)methyl]pyridin-2-amine
CID 102751039
5-chloro-N-(3-methoxyphenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 103076126

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2-methoxy-4-pyridinyl)methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-chloro-N-[(2-methoxy-4-pyridinyl)methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 103076603) is 5-chloro-N-[(2-methoxy-4-pyridinyl)methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-chloro-N-[(2-methoxy-4-pyridinyl)methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-chloro-N-[(2-methoxy-4-pyridinyl)methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is COc1cc(CNc2c(C)c(Cl)nc3ncnn23)ccn1.
What is the InChIKey of 5-chloro-N-[(2-methoxy-4-pyridinyl)methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is HBSGGGPBLSIIJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN6O/c1-8-11(14)19-13-17-7-18-20(13)12(8)16-6-9-3-4-15-10(5-9)21-2/h3-5,7,16H,6H2,1-2H3.
What are the key properties of 5-chloro-N-[(2-methoxy-4-pyridinyl)methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
5-chloro-N-[(2-methoxy-4-pyridinyl)methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 304.74 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(2-methoxy-4-pyridinyl)methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 103076603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).