N-[(2-chlorophenyl)methyl]-5-(3-methylpiperidin-1-yl)-1,2,4-triazin-3-amine

C16H20ClN5 — CID 112950368

IUPACN-[(2-chlorophenyl)methyl]-5-(3-methylpiperidin-1-yl)-1,2,4-triazin-3-amine
SMILESCC1CCCN(c2cnnc(NCc3ccccc3Cl)n2)C1
InChIInChI=1S/C16H20ClN5/c1-12-5-4-8-22(11-12)15-10-19-21-16(20-15)18-9-13-6-2-3-7-14(13)17/h2-3,6-7,10,12H,4-5,8-9,11H2,1H3,(H,18,20,21)
InChIKeySVTOXLRBDHWWRD-UHFFFAOYSA-N
MW317.82 g/mol
LogP3.37
Rot. Bonds4

About N-[(2-chlorophenyl)methyl]-5-(3-methylpiperidin-1-yl)-1,2,4-triazin-3-amine

N-[(2-chlorophenyl)methyl]-5-(3-methylpiperidin-1-yl)-1,2,4-triazin-3-amine (PubChem CID 112950368) has the molecular formula C16H20ClN5 and a molecular weight of 317.82 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-5-(3-methylpiperidin-1-yl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-5-(3-methylpiperidin-1-yl)-1,2,4-triazin-3-amine
PubChem CID112950368
Molecular FormulaC16H20ClN5
Molecular Weight317.82 g/mol
Exact Mass317.14
IUPAC NameN-[(2-chlorophenyl)methyl]-5-(3-methylpiperidin-1-yl)-1,2,4-triazin-3-amine
SMILESCC1CCCN(c2cnnc(NCc3ccccc3Cl)n2)C1
InChIInChI=1S/C16H20ClN5/c1-12-5-4-8-22(11-12)15-10-19-21-16(20-15)18-9-13-6-2-3-7-14(13)17/h2-3,6-7,10,12H,4-5,8-9,11H2,1H3,(H,18,20,21)
InChIKeySVTOXLRBDHWWRD-UHFFFAOYSA-N
XLogP3.37
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-Phenyl-[1,2,4]triazin-6-yl)-(2-piperidin-1-yl-ethyl)-amine
CID 10731707
N-(4-chlorobenzyl)-3-morpholino-1,2,4-triazin-5-amine
CID 112944228
3-phenyl-N-(piperidin-1-ylmethyl)-1,2,4-triazin-6-amine
CID 46889616
5-(3-chlorophenyl)-N-[(1-isobutyl-4-piperidinyl)methyl]-1,2,4-triazin-3-amine
CID 42377844
5-[4-[(2-Chlorophenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine
CID 122140307
N-[(4-chloro-3-methylphenyl)methyl]-6-(1,2,4-triazol-1-yl)pyrazin-2-amine
CID 137982062
3-[(4-chloro-2-fluoro-5-methylphenyl)methyl]-1-cyclopropyl-1-[(3R)-1-(1,2,4-triazin-3-yl)piperidin-3-yl]urea
CID 165119456
8-[4-[(2-Chloro-4-fluorophenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine
CID 75374724
3-chloro-N-[(4-fluorophenyl)methyl]-1,2,4-triazin-5-amine
CID 82237561
3-chloro-N-[(2-fluorophenyl)methyl]-1,2,4-triazin-5-amine
CID 82237562
3-chloro-N-[(3-fluorophenyl)methyl]-1,2,4-triazin-5-amine
CID 82237564
3-N-[(2-fluorophenyl)methyl]-5-N-propyl-1,2,4-triazine-3,5-diamine
CID 112938320

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-5-(3-methylpiperidin-1-yl)-1,2,4-triazin-3-amine?
The IUPAC name of N-[(2-chlorophenyl)methyl]-5-(3-methylpiperidin-1-yl)-1,2,4-triazin-3-amine (CID 112950368) is N-[(2-chlorophenyl)methyl]-5-(3-methylpiperidin-1-yl)-1,2,4-triazin-3-amine.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-5-(3-methylpiperidin-1-yl)-1,2,4-triazin-3-amine?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-5-(3-methylpiperidin-1-yl)-1,2,4-triazin-3-amine is CC1CCCN(c2cnnc(NCc3ccccc3Cl)n2)C1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-5-(3-methylpiperidin-1-yl)-1,2,4-triazin-3-amine?
The InChIKey is SVTOXLRBDHWWRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN5/c1-12-5-4-8-22(11-12)15-10-19-21-16(20-15)18-9-13-6-2-3-7-14(13)17/h2-3,6-7,10,12H,4-5,8-9,11H2,1H3,(H,18,20,21).
What are the key properties of N-[(2-chlorophenyl)methyl]-5-(3-methylpiperidin-1-yl)-1,2,4-triazin-3-amine?
N-[(2-chlorophenyl)methyl]-5-(3-methylpiperidin-1-yl)-1,2,4-triazin-3-amine has a molecular weight of 317.82 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-5-(3-methylpiperidin-1-yl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 112950368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).