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

C15H18ClN5 — CID 112941828

IUPACN-[(2-chlorophenyl)methyl]-5-piperidin-1-yl-1,2,4-triazin-3-amine
SMILESClc1ccccc1CNc1nncc(N2CCCCC2)n1
InChIInChI=1S/C15H18ClN5/c16-13-7-3-2-6-12(13)10-17-15-19-14(11-18-20-15)21-8-4-1-5-9-21/h2-3,6-7,11H,1,4-5,8-10H2,(H,17,19,20)
InChIKeySILCBGVYEBIQGS-UHFFFAOYSA-N
MW303.80 g/mol
LogP3.13
Rot. Bonds4

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

N-[(2-chlorophenyl)methyl]-5-piperidin-1-yl-1,2,4-triazin-3-amine (PubChem CID 112941828) has the molecular formula C15H18ClN5 and a molecular weight of 303.80 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-5-piperidin-1-yl-1,2,4-triazin-3-amine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-5-piperidin-1-yl-1,2,4-triazin-3-amine
PubChem CID112941828
Molecular FormulaC15H18ClN5
Molecular Weight303.80 g/mol
Exact Mass303.13
IUPAC NameN-[(2-chlorophenyl)methyl]-5-piperidin-1-yl-1,2,4-triazin-3-amine
SMILESClc1ccccc1CNc1nncc(N2CCCCC2)n1
InChIInChI=1S/C15H18ClN5/c16-13-7-3-2-6-12(13)10-17-15-19-14(11-18-20-15)21-8-4-1-5-9-21/h2-3,6-7,11H,1,4-5,8-10H2,(H,17,19,20)
InChIKeySILCBGVYEBIQGS-UHFFFAOYSA-N
XLogP3.13
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.80
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-chlorophenyl)methyl]-5-(3-methylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112950368
3-N-[(2-chlorophenyl)methyl]-5-N-(4-pyrrolidin-1-ylphenyl)-1,2,4-triazine-3,5-diamine
CID 112950432
N-(2-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine
CID 112941149
N-(2,6-dichlorophenyl)-5-piperidin-1-yl-1,2,4-triazin-3-amine
CID 112941981
5-(azepan-1-yl)-N-(2-phenylethyl)-1,2,4-triazin-3-amine
CID 112952983
N-[2-(2-fluorophenyl)ethyl]-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine
CID 112941075
5-(azepan-1-yl)-N-(pyridin-4-ylmethyl)-1,2,4-triazin-3-amine
CID 112952675
5-N-[(2-chlorophenyl)methyl]-3-N-(4-pyrrolidin-1-ylphenyl)-1,2,4-triazine-3,5-diamine
CID 112950294
N-phenyl-5-piperidin-1-yl-1,2,4-triazin-3-amine
CID 112941887
N-(2-methylpropyl)-5-piperidin-1-yl-1,2,4-triazin-3-amine
CID 112940461
3-N-[(2-chlorophenyl)methyl]-5-N-cycloheptyl-1,2,4-triazine-3,5-diamine
CID 112950361
N-[(4-fluorophenyl)methyl]-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine
CID 112941063

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-5-piperidin-1-yl-1,2,4-triazin-3-amine?
The IUPAC name of N-[(2-chlorophenyl)methyl]-5-piperidin-1-yl-1,2,4-triazin-3-amine (CID 112941828) is N-[(2-chlorophenyl)methyl]-5-piperidin-1-yl-1,2,4-triazin-3-amine.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-5-piperidin-1-yl-1,2,4-triazin-3-amine?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-5-piperidin-1-yl-1,2,4-triazin-3-amine is Clc1ccccc1CNc1nncc(N2CCCCC2)n1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-5-piperidin-1-yl-1,2,4-triazin-3-amine?
The InChIKey is SILCBGVYEBIQGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN5/c16-13-7-3-2-6-12(13)10-17-15-19-14(11-18-20-15)21-8-4-1-5-9-21/h2-3,6-7,11H,1,4-5,8-10H2,(H,17,19,20).
What are the key properties of N-[(2-chlorophenyl)methyl]-5-piperidin-1-yl-1,2,4-triazin-3-amine?
N-[(2-chlorophenyl)methyl]-5-piperidin-1-yl-1,2,4-triazin-3-amine has a molecular weight of 303.80 g/mol, XLogP of 3.13, 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-piperidin-1-yl-1,2,4-triazin-3-amine is sourced from PubChem (CID 112941828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).