5-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C13H16ClN7 — CID 103076873

IUPAC5-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1nn(C)cc1CNc1c(C)c(Cl)nc2ncnn12
InChIInChI=1S/C13H16ClN7/c1-4-10-9(6-20(3)19-10)5-15-12-8(2)11(14)18-13-16-7-17-21(12)13/h6-7,15H,4-5H2,1-3H3
InChIKeyRXDMYIMCNQONIN-UHFFFAOYSA-N
MW305.77 g/mol
LogP1.99
Rot. Bonds4

About 5-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

5-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 103076873) has the molecular formula C13H16ClN7 and a molecular weight of 305.77 g/mol. Its IUPAC name is 5-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID103076873
Molecular FormulaC13H16ClN7
Molecular Weight305.77 g/mol
Exact Mass305.12
IUPAC Name5-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1nn(C)cc1CNc1c(C)c(Cl)nc2ncnn12
InChIInChI=1S/C13H16ClN7/c1-4-10-9(6-20(3)19-10)5-15-12-8(2)11(14)18-13-16-7-17-21(12)13/h6-7,15H,4-5H2,1-3H3
InChIKeyRXDMYIMCNQONIN-UHFFFAOYSA-N
XLogP1.99
TPSA72.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.77
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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-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-[(2,5-difluorophenyl)methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 103076653
5-chloro-6-methyl-N-pentyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 103076184
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
1-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]pentan-3-ol
CID 103076946
5-chloro-6-methyl-N-(3-methylbut-2-enyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 106197254
1-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 106248479
6-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-methylpyrimidin-4-amine
CID 112549981
5-chloro-N-(2-cyclopropylethyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 103076734
5-chloro-N-(2,2-dimethylheptyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 103076803

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 103076873) is 5-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is CCc1nn(C)cc1CNc1c(C)c(Cl)nc2ncnn12.
What is the InChIKey of 5-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is RXDMYIMCNQONIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN7/c1-4-10-9(6-20(3)19-10)5-15-12-8(2)11(14)18-13-16-7-17-21(12)13/h6-7,15H,4-5H2,1-3H3.
What are the key properties of 5-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
5-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 305.77 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 103076873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).