[1-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-3-methylcyclohexyl]methanol

C13H18ClN5O — CID 102918762

IUPAC[1-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-3-methylcyclohexyl]methanol
SMILESCC1CCCC(CO)(Nc2cc(Cl)nc3ncnn23)C1
InChIInChI=1S/C13H18ClN5O/c1-9-3-2-4-13(6-9,7-20)18-11-5-10(14)17-12-15-8-16-19(11)12/h5,8-9,18,20H,2-4,6-7H2,1H3
InChIKeyPJVLBAJMFHYJJE-UHFFFAOYSA-N
MW295.77 g/mol
LogP2.13
Rot. Bonds3

About [1-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-3-methylcyclohexyl]methanol

[1-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-3-methylcyclohexyl]methanol (PubChem CID 102918762) has the molecular formula C13H18ClN5O and a molecular weight of 295.77 g/mol. Its IUPAC name is [1-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-3-methylcyclohexyl]methanol.

Molecular Properties

Compound Name[1-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-3-methylcyclohexyl]methanol
PubChem CID102918762
Molecular FormulaC13H18ClN5O
Molecular Weight295.77 g/mol
Exact Mass295.12
IUPAC Name[1-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-3-methylcyclohexyl]methanol
SMILESCC1CCCC(CO)(Nc2cc(Cl)nc3ncnn23)C1
InChIInChI=1S/C13H18ClN5O/c1-9-3-2-4-13(6-9,7-20)18-11-5-10(14)17-12-15-8-16-19(11)12/h5,8-9,18,20H,2-4,6-7H2,1H3
InChIKeyPJVLBAJMFHYJJE-UHFFFAOYSA-N
XLogP2.13
TPSA75.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [1-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-3-methylcyclohexyl]methanol with MolForge

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Related Compounds

[1-[(6-chloropyrimidin-4-yl)amino]-3-methylcyclohexyl]methanol
CID 62553573
[1-[[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]cyclopropyl]methanol
CID 102919048
2-chloro-6-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]pyridine-4-carbonitrile
CID 83076666
5-chloro-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918894
5-chloro-N-(1-cyclopentylethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918874
5-chloro-N-(2,2-dimethylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918505
[1-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]-3-methylcyclohexyl]methanol
CID 80919691
3-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-2-methylpropane-1,2-diol
CID 102918962
[1-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-3-methylcyclohexyl]methanol
CID 80831993
5-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102919080
5-chloro-N-(1-cyclopropylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918871
[1-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]-3-methylcyclohexyl]methanol
CID 62858736

Frequently Asked Questions

What is the IUPAC name of [1-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-3-methylcyclohexyl]methanol?
The IUPAC name of [1-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-3-methylcyclohexyl]methanol (CID 102918762) is [1-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-3-methylcyclohexyl]methanol.
What is the SMILES notation for [1-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-3-methylcyclohexyl]methanol?
The canonical SMILES for [1-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-3-methylcyclohexyl]methanol is CC1CCCC(CO)(Nc2cc(Cl)nc3ncnn23)C1.
What is the InChIKey of [1-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-3-methylcyclohexyl]methanol?
The InChIKey is PJVLBAJMFHYJJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN5O/c1-9-3-2-4-13(6-9,7-20)18-11-5-10(14)17-12-15-8-16-19(11)12/h5,8-9,18,20H,2-4,6-7H2,1H3.
What are the key properties of [1-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-3-methylcyclohexyl]methanol?
[1-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-3-methylcyclohexyl]methanol has a molecular weight of 295.77 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 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)amino]-3-methylcyclohexyl]methanol is sourced from PubChem (CID 102918762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).