4-[N-(2H-triazolo[4,5-d]pyrimidin-5-yl)anilino]cyclohexan-1-ol

C16H18N6O — CID 90737217

IUPAC4-[N-(2H-triazolo[4,5-d]pyrimidin-5-yl)anilino]cyclohexan-1-ol
SMILESOC1CCC(N(c2ccccc2)c2ncc3n[nH]nc3n2)CC1
InChIInChI=1S/C16H18N6O/c23-13-8-6-12(7-9-13)22(11-4-2-1-3-5-11)16-17-10-14-15(18-16)20-21-19-14/h1-5,10,12-13,23H,6-9H2,(H,17,18,19,20,21)
InChIKeyOCFDLPVGFFKUGD-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.19
Rot. Bonds3

About 4-[N-(2H-triazolo[4,5-d]pyrimidin-5-yl)anilino]cyclohexan-1-ol

4-[N-(2H-triazolo[4,5-d]pyrimidin-5-yl)anilino]cyclohexan-1-ol (PubChem CID 90737217) has the molecular formula C16H18N6O and a molecular weight of 310.36 g/mol. Its IUPAC name is 4-[N-(2H-triazolo[4,5-d]pyrimidin-5-yl)anilino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[N-(2H-triazolo[4,5-d]pyrimidin-5-yl)anilino]cyclohexan-1-ol
PubChem CID90737217
Molecular FormulaC16H18N6O
Molecular Weight310.36 g/mol
Exact Mass310.15
IUPAC Name4-[N-(2H-triazolo[4,5-d]pyrimidin-5-yl)anilino]cyclohexan-1-ol
SMILESOC1CCC(N(c2ccccc2)c2ncc3n[nH]nc3n2)CC1
InChIInChI=1S/C16H18N6O/c23-13-8-6-12(7-9-13)22(11-4-2-1-3-5-11)16-17-10-14-15(18-16)20-21-19-14/h1-5,10,12-13,23H,6-9H2,(H,17,18,19,20,21)
InChIKeyOCFDLPVGFFKUGD-UHFFFAOYSA-N
XLogP2.19
TPSA90.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-chloro-N-(1H-pyrazolo[3,4-d]pyrimidin-6-yl)anilino]cyclohexan-1-ol
CID 91550730
N-[3-[2-tert-butyl-N-(2H-triazolo[4,5-d]pyrimidin-5-yl)anilino]cyclohexyl]acetamide
CID 91217965
4-[methyl-(5-methylpyrimidin-2-yl)amino]cyclohexan-1-ol
CID 116978157
CID 87301097
CID 87301097
8-(3,3-dimethylbutyl)-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 70114097
7-amino-8-ethyl-5-oxo-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidine-6-carboxamide
CID 123568985
8-[2-(4-phenylphenyl)ethyl]-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 70111873
8-(3-methoxypropyl)-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 70112222
8-(cyclohex-3-en-1-ylmethyl)-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 70114854
8-(3-phenylmethoxypropyl)-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 70112450
8-[2-(4-methoxyphenyl)ethyl]-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 70346791
2-(N-piperidin-4-ylanilino)-8-(9H-xanthen-9-yl)pyrido[2,3-d]pyrimidin-7-one
CID 70113134

Frequently Asked Questions

What is the IUPAC name of 4-[N-(2H-triazolo[4,5-d]pyrimidin-5-yl)anilino]cyclohexan-1-ol?
The IUPAC name of 4-[N-(2H-triazolo[4,5-d]pyrimidin-5-yl)anilino]cyclohexan-1-ol (CID 90737217) is 4-[N-(2H-triazolo[4,5-d]pyrimidin-5-yl)anilino]cyclohexan-1-ol.
What is the SMILES notation for 4-[N-(2H-triazolo[4,5-d]pyrimidin-5-yl)anilino]cyclohexan-1-ol?
The canonical SMILES for 4-[N-(2H-triazolo[4,5-d]pyrimidin-5-yl)anilino]cyclohexan-1-ol is OC1CCC(N(c2ccccc2)c2ncc3n[nH]nc3n2)CC1.
What is the InChIKey of 4-[N-(2H-triazolo[4,5-d]pyrimidin-5-yl)anilino]cyclohexan-1-ol?
The InChIKey is OCFDLPVGFFKUGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O/c23-13-8-6-12(7-9-13)22(11-4-2-1-3-5-11)16-17-10-14-15(18-16)20-21-19-14/h1-5,10,12-13,23H,6-9H2,(H,17,18,19,20,21).
What are the key properties of 4-[N-(2H-triazolo[4,5-d]pyrimidin-5-yl)anilino]cyclohexan-1-ol?
4-[N-(2H-triazolo[4,5-d]pyrimidin-5-yl)anilino]cyclohexan-1-ol has a molecular weight of 310.36 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[N-(2H-triazolo[4,5-d]pyrimidin-5-yl)anilino]cyclohexan-1-ol is sourced from PubChem (CID 90737217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).