5-cyclopropyl-2-[5-methyl-3-[[(3R)-1-methylpiperidin-3-yl]amino]-1,2,4-triazin-6-yl]phenol

C19H25N5O — CID 168973538

IUPAC5-cyclopropyl-2-[5-methyl-3-[[(3R)-1-methylpiperidin-3-yl]amino]-1,2,4-triazin-6-yl]phenol
SMILESCc1nc(N[C@@H]2CCCN(C)C2)nnc1-c1ccc(C2CC2)cc1O
InChIInChI=1S/C19H25N5O/c1-12-18(16-8-7-14(10-17(16)25)13-5-6-13)22-23-19(20-12)21-15-4-3-9-24(2)11-15/h7-8,10,13,15,25H,3-6,9,11H2,1-2H3,(H,20,21,23)/t15-/m1/s1
InChIKeyPMUJIMMUUGFXEB-OAHLLOKOSA-N
MW339.44 g/mol
LogP2.94
Rot. Bonds4

About 5-cyclopropyl-2-[5-methyl-3-[[(3R)-1-methylpiperidin-3-yl]amino]-1,2,4-triazin-6-yl]phenol

5-cyclopropyl-2-[5-methyl-3-[[(3R)-1-methylpiperidin-3-yl]amino]-1,2,4-triazin-6-yl]phenol (PubChem CID 168973538) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is 5-cyclopropyl-2-[5-methyl-3-[[(3R)-1-methylpiperidin-3-yl]amino]-1,2,4-triazin-6-yl]phenol.

Molecular Properties

Compound Name5-cyclopropyl-2-[5-methyl-3-[[(3R)-1-methylpiperidin-3-yl]amino]-1,2,4-triazin-6-yl]phenol
PubChem CID168973538
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name5-cyclopropyl-2-[5-methyl-3-[[(3R)-1-methylpiperidin-3-yl]amino]-1,2,4-triazin-6-yl]phenol
SMILESCc1nc(N[C@@H]2CCCN(C)C2)nnc1-c1ccc(C2CC2)cc1O
InChIInChI=1S/C19H25N5O/c1-12-18(16-8-7-14(10-17(16)25)13-5-6-13)22-23-19(20-12)21-15-4-3-9-24(2)11-15/h7-8,10,13,15,25H,3-6,9,11H2,1-2H3,(H,20,21,23)/t15-/m1/s1
InChIKeyPMUJIMMUUGFXEB-OAHLLOKOSA-N
XLogP2.94
TPSA74.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-cyclopropyl-2-[5-methyl-3-[[(3R)-1-methylpiperidin-3-yl]amino]-1,2,4-triazin-6-yl]phenol with MolForge

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Related Compounds

2-[3-[(3S)-3-cyclopropylpiperazin-1-yl]-1,2,4-triazin-6-yl]-5-(5-fluoro-1H-pyrazol-4-yl)phenol
CID 156887462
5-(1-Methylpyrazol-4-yl)-2-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol
CID 139536927
5-cyclopropyl-2-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]phenol
CID 164544826
2-[5-methyl-3-[[(3R)-1-methylpiperidin-3-yl]amino]-1,2,4-triazin-6-yl]-5-(trifluoromethyl)phenol
CID 166099131
5-chloro-2-[5-methyl-3-[[(3R)-1-methylpiperidin-3-yl]amino]-1,2,4-triazin-6-yl]phenol
CID 166152938
3-fluoro-5-methyl-2-[5-methyl-3-[[(3R)-1-methylpiperidin-3-yl]amino]-1,2,4-triazin-6-yl]phenol
CID 171342624
2-[3-[1-(3-Hydroxyphenyl)ethylamino]-5-methyl-1,2,4-triazin-6-yl]-5-(trifluoromethyl)phenol
CID 171763674
2-[2-cyclopropyl-1-methyl-4-[[(3R)-1-methylpiperidin-3-yl]amino]imidazo[4,5-d]pyridazin-7-yl]-5-(trifluoromethyl)phenol
CID 172442060
2-[7-[[(3R)-1-methylpiperidin-3-yl]amino]pyrazolo[1,5-d][1,2,4]triazin-4-yl]-5-(trifluoromethyl)phenol
CID 169224886
2-[3-[(3aS,7aR)-6-ethyl-3a,7a-dimethyl-3,4,5,7-tetrahydro-2H-pyrrolo[2,3-c]pyridin-1-yl]-5-methyl-1,2,4-triazin-6-yl]-5-(trifluoromethyl)phenol
CID 178295527
2-[3-methyl-7-[[(3R)-1-methylpiperidin-3-yl]amino]pyrazolo[1,5-d][1,2,4]triazin-4-yl]-5-(trifluoromethyl)phenol
CID 178311168
2-[3-[(3aS,7aR)-3a,6,7a-trimethyl-3,4,5,7-tetrahydro-2H-pyrrolo[2,3-c]pyridin-1-yl]-5-methyl-1,2,4-triazin-6-yl]-3-fluoro-5-methylphenol
CID 178314838

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-[5-methyl-3-[[(3R)-1-methylpiperidin-3-yl]amino]-1,2,4-triazin-6-yl]phenol?
The IUPAC name of 5-cyclopropyl-2-[5-methyl-3-[[(3R)-1-methylpiperidin-3-yl]amino]-1,2,4-triazin-6-yl]phenol (CID 168973538) is 5-cyclopropyl-2-[5-methyl-3-[[(3R)-1-methylpiperidin-3-yl]amino]-1,2,4-triazin-6-yl]phenol.
What is the SMILES notation for 5-cyclopropyl-2-[5-methyl-3-[[(3R)-1-methylpiperidin-3-yl]amino]-1,2,4-triazin-6-yl]phenol?
The canonical SMILES for 5-cyclopropyl-2-[5-methyl-3-[[(3R)-1-methylpiperidin-3-yl]amino]-1,2,4-triazin-6-yl]phenol is Cc1nc(N[C@@H]2CCCN(C)C2)nnc1-c1ccc(C2CC2)cc1O.
What is the InChIKey of 5-cyclopropyl-2-[5-methyl-3-[[(3R)-1-methylpiperidin-3-yl]amino]-1,2,4-triazin-6-yl]phenol?
The InChIKey is PMUJIMMUUGFXEB-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H25N5O/c1-12-18(16-8-7-14(10-17(16)25)13-5-6-13)22-23-19(20-12)21-15-4-3-9-24(2)11-15/h7-8,10,13,15,25H,3-6,9,11H2,1-2H3,(H,20,21,23)/t15-/m1/s1.
What are the key properties of 5-cyclopropyl-2-[5-methyl-3-[[(3R)-1-methylpiperidin-3-yl]amino]-1,2,4-triazin-6-yl]phenol?
5-cyclopropyl-2-[5-methyl-3-[[(3R)-1-methylpiperidin-3-yl]amino]-1,2,4-triazin-6-yl]phenol has a molecular weight of 339.44 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-[5-methyl-3-[[(3R)-1-methylpiperidin-3-yl]amino]-1,2,4-triazin-6-yl]phenol is sourced from PubChem (CID 168973538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).