2-[3-[[(1R,2R)-2-hydroxycyclohexyl]amino]-5-methyl-1,2,4-triazin-6-yl]-5-methoxyphenol;hydrochloride

C17H23ClN4O3 — CID 166099090

IUPAC2-[3-[[(1R,2R)-2-hydroxycyclohexyl]amino]-5-methyl-1,2,4-triazin-6-yl]-5-methoxyphenol;hydrochloride
SMILESCOc1ccc(-c2nnc(N[C@@H]3CCCC[C@H]3O)nc2C)c(O)c1.Cl
InChIInChI=1S/C17H22N4O3.ClH/c1-10-16(12-8-7-11(24-2)9-15(12)23)20-21-17(18-10)19-13-5-3-4-6-14(13)22;/h7-9,13-14,22-23H,3-6H2,1-2H3,(H,18,19,21);1H/t13-,14-;/m1./s1
InChIKeyONTDMULKCYVCON-DTPOWOMPSA-N
MW366.85 g/mol
LogP2.70
Rot. Bonds4

About 2-[3-[[(1R,2R)-2-hydroxycyclohexyl]amino]-5-methyl-1,2,4-triazin-6-yl]-5-methoxyphenol;hydrochloride

2-[3-[[(1R,2R)-2-hydroxycyclohexyl]amino]-5-methyl-1,2,4-triazin-6-yl]-5-methoxyphenol;hydrochloride (PubChem CID 166099090) has the molecular formula C17H23ClN4O3 and a molecular weight of 366.85 g/mol. Its IUPAC name is 2-[3-[[(1R,2R)-2-hydroxycyclohexyl]amino]-5-methyl-1,2,4-triazin-6-yl]-5-methoxyphenol;hydrochloride.

Molecular Properties

Compound Name2-[3-[[(1R,2R)-2-hydroxycyclohexyl]amino]-5-methyl-1,2,4-triazin-6-yl]-5-methoxyphenol;hydrochloride
PubChem CID166099090
Molecular FormulaC17H23ClN4O3
Molecular Weight366.85 g/mol
Exact Mass366.15
IUPAC Name2-[3-[[(1R,2R)-2-hydroxycyclohexyl]amino]-5-methyl-1,2,4-triazin-6-yl]-5-methoxyphenol;hydrochloride
SMILESCOc1ccc(-c2nnc(N[C@@H]3CCCC[C@H]3O)nc2C)c(O)c1.Cl
InChIInChI=1S/C17H22N4O3.ClH/c1-10-16(12-8-7-11(24-2)9-15(12)23)20-21-17(18-10)19-13-5-3-4-6-14(13)22;/h7-9,13-14,22-23H,3-6H2,1-2H3,(H,18,19,21);1H/t13-,14-;/m1./s1
InChIKeyONTDMULKCYVCON-DTPOWOMPSA-N
XLogP2.70
TPSA100.39 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[3-[[(1R,2R)-2-hydroxycyclohexyl]amino]-5-methyl-1,2,4-triazin-6-yl]-5-methoxyphenol;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[(1R,2R)-2-hydroxycyclohexyl]amino]-5-methyl-1,2,4-triazin-6-yl]-5-methoxyphenol;hydrochloride?
The IUPAC name of 2-[3-[[(1R,2R)-2-hydroxycyclohexyl]amino]-5-methyl-1,2,4-triazin-6-yl]-5-methoxyphenol;hydrochloride (CID 166099090) is 2-[3-[[(1R,2R)-2-hydroxycyclohexyl]amino]-5-methyl-1,2,4-triazin-6-yl]-5-methoxyphenol;hydrochloride.
What is the SMILES notation for 2-[3-[[(1R,2R)-2-hydroxycyclohexyl]amino]-5-methyl-1,2,4-triazin-6-yl]-5-methoxyphenol;hydrochloride?
The canonical SMILES for 2-[3-[[(1R,2R)-2-hydroxycyclohexyl]amino]-5-methyl-1,2,4-triazin-6-yl]-5-methoxyphenol;hydrochloride is COc1ccc(-c2nnc(N[C@@H]3CCCC[C@H]3O)nc2C)c(O)c1.Cl.
What is the InChIKey of 2-[3-[[(1R,2R)-2-hydroxycyclohexyl]amino]-5-methyl-1,2,4-triazin-6-yl]-5-methoxyphenol;hydrochloride?
The InChIKey is ONTDMULKCYVCON-DTPOWOMPSA-N. The full InChI is InChI=1S/C17H22N4O3.ClH/c1-10-16(12-8-7-11(24-2)9-15(12)23)20-21-17(18-10)19-13-5-3-4-6-14(13)22;/h7-9,13-14,22-23H,3-6H2,1-2H3,(H,18,19,21);1H/t13-,14-;/m1./s1.
What are the key properties of 2-[3-[[(1R,2R)-2-hydroxycyclohexyl]amino]-5-methyl-1,2,4-triazin-6-yl]-5-methoxyphenol;hydrochloride?
2-[3-[[(1R,2R)-2-hydroxycyclohexyl]amino]-5-methyl-1,2,4-triazin-6-yl]-5-methoxyphenol;hydrochloride has a molecular weight of 366.85 g/mol, XLogP of 2.70, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[(1R,2R)-2-hydroxycyclohexyl]amino]-5-methyl-1,2,4-triazin-6-yl]-5-methoxyphenol;hydrochloride is sourced from PubChem (CID 166099090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).