1-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3-methylpiperidin-3-ol

C11H14ClN5O — CID 102919198

IUPAC1-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3-methylpiperidin-3-ol
SMILESCC1(O)CCCN(c2cc(Cl)nc3ncnn23)C1
InChIInChI=1S/C11H14ClN5O/c1-11(18)3-2-4-16(6-11)9-5-8(12)15-10-13-7-14-17(9)10/h5,7,18H,2-4,6H2,1H3
InChIKeySYBVVGNDEFXPTB-UHFFFAOYSA-N
MW267.72 g/mol
LogP1.13
Rot. Bonds1

About 1-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3-methylpiperidin-3-ol

1-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3-methylpiperidin-3-ol (PubChem CID 102919198) has the molecular formula C11H14ClN5O and a molecular weight of 267.72 g/mol. Its IUPAC name is 1-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3-methylpiperidin-3-ol.

Molecular Properties

Compound Name1-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3-methylpiperidin-3-ol
PubChem CID102919198
Molecular FormulaC11H14ClN5O
Molecular Weight267.72 g/mol
Exact Mass267.09
IUPAC Name1-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3-methylpiperidin-3-ol
SMILESCC1(O)CCCN(c2cc(Cl)nc3ncnn23)C1
InChIInChI=1S/C11H14ClN5O/c1-11(18)3-2-4-16(6-11)9-5-8(12)15-10-13-7-14-17(9)10/h5,7,18H,2-4,6H2,1H3
InChIKeySYBVVGNDEFXPTB-UHFFFAOYSA-N
XLogP1.13
TPSA66.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.72
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3-methylpyrrolidine-3-carboxamide
CID 114082399
7-(azepan-1-yl)-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 102918340
5-chloro-7-(4-methylazepan-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 102918844
[4-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-6,6-dimethylmorpholin-2-yl]methanol
CID 102919218
5-chloro-7-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 102918816
[1-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-yl]methanol
CID 102919086
7-(3-tert-butylpyrrolidin-1-yl)-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 102919125
5-chloro-7-(1,3-dihydroisoindol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 102918736
5-chloro-7-(4-ethyl-3-methylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 102918842
1-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-4-carboxamide
CID 102918257
1-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-3-methylpiperidin-3-ol
CID 102716221
N-[[1-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methyl]acetamide
CID 102919228

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3-methylpiperidin-3-ol?
The IUPAC name of 1-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3-methylpiperidin-3-ol (CID 102919198) is 1-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3-methylpiperidin-3-ol.
What is the SMILES notation for 1-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3-methylpiperidin-3-ol?
The canonical SMILES for 1-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3-methylpiperidin-3-ol is CC1(O)CCCN(c2cc(Cl)nc3ncnn23)C1.
What is the InChIKey of 1-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3-methylpiperidin-3-ol?
The InChIKey is SYBVVGNDEFXPTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN5O/c1-11(18)3-2-4-16(6-11)9-5-8(12)15-10-13-7-14-17(9)10/h5,7,18H,2-4,6H2,1H3.
What are the key properties of 1-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3-methylpiperidin-3-ol?
1-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3-methylpiperidin-3-ol has a molecular weight of 267.72 g/mol, XLogP of 1.13, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3-methylpiperidin-3-ol is sourced from PubChem (CID 102919198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).