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

C13H10ClF2N5 — CID 103076653

IUPAC5-chloro-N-[(2,5-difluorophenyl)methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1c(Cl)nc2ncnn2c1NCc1cc(F)ccc1F
InChIInChI=1S/C13H10ClF2N5/c1-7-11(14)20-13-18-6-19-21(13)12(7)17-5-8-4-9(15)2-3-10(8)16/h2-4,6,17H,5H2,1H3
InChIKeyDBTDRNMTGODGEI-UHFFFAOYSA-N
MW309.71 g/mol
LogP2.98
Rot. Bonds3

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

5-chloro-N-[(2,5-difluorophenyl)methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 103076653) has the molecular formula C13H10ClF2N5 and a molecular weight of 309.71 g/mol. Its IUPAC name is 5-chloro-N-[(2,5-difluorophenyl)methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-chloro-N-[(2,5-difluorophenyl)methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID103076653
Molecular FormulaC13H10ClF2N5
Molecular Weight309.71 g/mol
Exact Mass309.06
IUPAC Name5-chloro-N-[(2,5-difluorophenyl)methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1c(Cl)nc2ncnn2c1NCc1cc(F)ccc1F
InChIInChI=1S/C13H10ClF2N5/c1-7-11(14)20-13-18-6-19-21(13)12(7)17-5-8-4-9(15)2-3-10(8)16/h2-4,6,17H,5H2,1H3
InChIKeyDBTDRNMTGODGEI-UHFFFAOYSA-N
XLogP2.98
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.71
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-[(4-ethylphenyl)methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 106900563
N-benzyl-5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 103076180
5-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 106038078
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-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 103076873
5-chloro-N-(3,5-difluorophenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 103076124
4-[[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]benzonitrile
CID 103076555
5-chloro-N-[(2-methoxy-4-pyridinyl)methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 103076603
5-chloro-N-(3-fluoro-5-methylphenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 103076760
1-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]pentan-3-ol
CID 103076946
5-chloro-N-(2,3-difluorophenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 103076304
N-(5-bromo-2,4-difluorophenyl)-5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 103076997

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2,5-difluorophenyl)methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-chloro-N-[(2,5-difluorophenyl)methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 103076653) is 5-chloro-N-[(2,5-difluorophenyl)methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-chloro-N-[(2,5-difluorophenyl)methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-chloro-N-[(2,5-difluorophenyl)methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1c(Cl)nc2ncnn2c1NCc1cc(F)ccc1F.
What is the InChIKey of 5-chloro-N-[(2,5-difluorophenyl)methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is DBTDRNMTGODGEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF2N5/c1-7-11(14)20-13-18-6-19-21(13)12(7)17-5-8-4-9(15)2-3-10(8)16/h2-4,6,17H,5H2,1H3.
What are the key properties of 5-chloro-N-[(2,5-difluorophenyl)methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
5-chloro-N-[(2,5-difluorophenyl)methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 309.71 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(2,5-difluorophenyl)methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 103076653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).