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

C14H21ClN6 — CID 103076494

IUPAC5-chloro-N-[(1-ethylpiperidin-4-yl)methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCN1CCC(CNc2c(C)c(Cl)nc3ncnn23)CC1
InChIInChI=1S/C14H21ClN6/c1-3-20-6-4-11(5-7-20)8-16-13-10(2)12(15)19-14-17-9-18-21(13)14/h9,11,16H,3-8H2,1-2H3
InChIKeyYONOJYYISPLQDJ-UHFFFAOYSA-N
MW308.82 g/mol
LogP2.23
Rot. Bonds4

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

5-chloro-N-[(1-ethylpiperidin-4-yl)methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 103076494) has the molecular formula C14H21ClN6 and a molecular weight of 308.82 g/mol. Its IUPAC name is 5-chloro-N-[(1-ethylpiperidin-4-yl)methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-chloro-N-[(1-ethylpiperidin-4-yl)methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID103076494
Molecular FormulaC14H21ClN6
Molecular Weight308.82 g/mol
Exact Mass308.15
IUPAC Name5-chloro-N-[(1-ethylpiperidin-4-yl)methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCN1CCC(CNc2c(C)c(Cl)nc3ncnn23)CC1
InChIInChI=1S/C14H21ClN6/c1-3-20-6-4-11(5-7-20)8-16-13-10(2)12(15)19-14-17-9-18-21(13)14/h9,11,16H,3-8H2,1-2H3
InChIKeyYONOJYYISPLQDJ-UHFFFAOYSA-N
XLogP2.23
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.82
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(1-ethylpiperidin-4-yl)methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-chloro-N-[(1-ethylpiperidin-4-yl)methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 103076494) is 5-chloro-N-[(1-ethylpiperidin-4-yl)methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-chloro-N-[(1-ethylpiperidin-4-yl)methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-chloro-N-[(1-ethylpiperidin-4-yl)methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is CCN1CCC(CNc2c(C)c(Cl)nc3ncnn23)CC1.
What is the InChIKey of 5-chloro-N-[(1-ethylpiperidin-4-yl)methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is YONOJYYISPLQDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN6/c1-3-20-6-4-11(5-7-20)8-16-13-10(2)12(15)19-14-17-9-18-21(13)14/h9,11,16H,3-8H2,1-2H3.
What are the key properties of 5-chloro-N-[(1-ethylpiperidin-4-yl)methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
5-chloro-N-[(1-ethylpiperidin-4-yl)methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 308.82 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(1-ethylpiperidin-4-yl)methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 103076494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).