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

C13H20ClN7 — CID 103076662

IUPAC5-chloro-N-[(1,4-dimethylpiperazin-2-yl)methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1c(Cl)nc2ncnn2c1NCC1CN(C)CCN1C
InChIInChI=1S/C13H20ClN7/c1-9-11(14)18-13-16-8-17-21(13)12(9)15-6-10-7-19(2)4-5-20(10)3/h8,10,15H,4-7H2,1-3H3
InChIKeyIYIWVVBVQJCNQK-UHFFFAOYSA-N
MW309.81 g/mol
LogP0.74
Rot. Bonds3

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

5-chloro-N-[(1,4-dimethylpiperazin-2-yl)methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 103076662) has the molecular formula C13H20ClN7 and a molecular weight of 309.81 g/mol. Its IUPAC name is 5-chloro-N-[(1,4-dimethylpiperazin-2-yl)methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-chloro-N-[(1,4-dimethylpiperazin-2-yl)methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID103076662
Molecular FormulaC13H20ClN7
Molecular Weight309.81 g/mol
Exact Mass309.15
IUPAC Name5-chloro-N-[(1,4-dimethylpiperazin-2-yl)methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1c(Cl)nc2ncnn2c1NCC1CN(C)CCN1C
InChIInChI=1S/C13H20ClN7/c1-9-11(14)18-13-16-8-17-21(13)12(9)15-6-10-7-19(2)4-5-20(10)3/h8,10,15H,4-7H2,1-3H3
InChIKeyIYIWVVBVQJCNQK-UHFFFAOYSA-N
XLogP0.74
TPSA61.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.81
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]cyclobutan-1-ol
CID 103076747
5-chloro-N-[(1-ethylpiperidin-4-yl)methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 103076494
5-chloro-N-(2-cyclopropylethyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 103076734
5-chloro-N-(2-cyclopentylethyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 103076296
6-chloro-N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-methylpyrimidin-4-amine
CID 63897136
5-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 103076972
6-chloro-2-cyclopropyl-N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-methylpyrimidin-4-amine
CID 80968202
5-chloro-6-methyl-N-pentyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 103076184
1-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]pentan-3-ol
CID 103076946
N-benzyl-5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 103076180
5-chloro-6-methyl-N-(3-methylbut-2-enyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 106197254
5-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 106038078

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(1,4-dimethylpiperazin-2-yl)methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-chloro-N-[(1,4-dimethylpiperazin-2-yl)methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 103076662) is 5-chloro-N-[(1,4-dimethylpiperazin-2-yl)methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-chloro-N-[(1,4-dimethylpiperazin-2-yl)methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-chloro-N-[(1,4-dimethylpiperazin-2-yl)methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1c(Cl)nc2ncnn2c1NCC1CN(C)CCN1C.
What is the InChIKey of 5-chloro-N-[(1,4-dimethylpiperazin-2-yl)methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is IYIWVVBVQJCNQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN7/c1-9-11(14)18-13-16-8-17-21(13)12(9)15-6-10-7-19(2)4-5-20(10)3/h8,10,15H,4-7H2,1-3H3.
What are the key properties of 5-chloro-N-[(1,4-dimethylpiperazin-2-yl)methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
5-chloro-N-[(1,4-dimethylpiperazin-2-yl)methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 309.81 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(1,4-dimethylpiperazin-2-yl)methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 103076662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).