7-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidine

C16H18ClN7O — CID 133274031

IUPAC7-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCOCc1cc(N2CCN(c3ncccc3Cl)CC2)n2ncnc2n1
InChIInChI=1S/C16H18ClN7O/c1-25-10-12-9-14(24-16(21-12)19-11-20-24)22-5-7-23(8-6-22)15-13(17)3-2-4-18-15/h2-4,9,11H,5-8,10H2,1H3
InChIKeyNJGLIIIPXMOIHK-UHFFFAOYSA-N
MW359.82 g/mol
LogP1.65
Rot. Bonds4

About 7-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidine

7-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 133274031) has the molecular formula C16H18ClN7O and a molecular weight of 359.82 g/mol. Its IUPAC name is 7-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID133274031
Molecular FormulaC16H18ClN7O
Molecular Weight359.82 g/mol
Exact Mass359.13
IUPAC Name7-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCOCc1cc(N2CCN(c3ncccc3Cl)CC2)n2ncnc2n1
InChIInChI=1S/C16H18ClN7O/c1-25-10-12-9-14(24-16(21-12)19-11-20-24)22-5-7-23(8-6-22)15-13(17)3-2-4-18-15/h2-4,9,11H,5-8,10H2,1H3
InChIKeyNJGLIIIPXMOIHK-UHFFFAOYSA-N
XLogP1.65
TPSA71.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.82
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

3-[[4-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methyl]phenol
CID 133289444
5-(methoxymethyl)-7-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 126874378
5-[4-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]pyridin-2-amine
CID 133304099
5-(methoxymethyl)-7-(3-pyrazol-1-ylazetidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 126900419
7-methoxy-2-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-3,4-dihydro-1H-isoquinoline
CID 133273595
3H-benzimidazol-5-yl-[4-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methanone
CID 71910124
7-(3-ethylsulfanylazepan-1-yl)-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 133311255
5-(methoxymethyl)-7-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 133307441
2-(furan-2-yl)-4-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine
CID 133347018
5-(methoxymethyl)-7-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 126911773
2-[1-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-2-yl]ethanol
CID 78845347
7-[4-(2-chlorophenyl)-1,4-diazepan-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 122154137

Frequently Asked Questions

What is the IUPAC name of 7-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidine (CID 133274031) is 7-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidine is COCc1cc(N2CCN(c3ncccc3Cl)CC2)n2ncnc2n1.
What is the InChIKey of 7-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is NJGLIIIPXMOIHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN7O/c1-25-10-12-9-14(24-16(21-12)19-11-20-24)22-5-7-23(8-6-22)15-13(17)3-2-4-18-15/h2-4,9,11H,5-8,10H2,1H3.
What are the key properties of 7-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
7-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 359.82 g/mol, XLogP of 1.65, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 133274031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).