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

C16H25N5 — CID 112941997

IUPACN-[2-(cyclohexen-1-yl)ethyl]-3-piperidin-1-yl-1,2,4-triazin-5-amine
SMILESC1=C(CCNc2cnnc(N3CCCCC3)n2)CCCC1
InChIInChI=1S/C16H25N5/c1-3-7-14(8-4-1)9-10-17-15-13-18-20-16(19-15)21-11-5-2-6-12-21/h7,13H,1-6,8-12H2,(H,17,19,20)
InChIKeyNEZVCQUUZYWAOR-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.16
Rot. Bonds5

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

N-[2-(cyclohexen-1-yl)ethyl]-3-piperidin-1-yl-1,2,4-triazin-5-amine (PubChem CID 112941997) has the molecular formula C16H25N5 and a molecular weight of 287.41 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-3-piperidin-1-yl-1,2,4-triazin-5-amine.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-3-piperidin-1-yl-1,2,4-triazin-5-amine
PubChem CID112941997
Molecular FormulaC16H25N5
Molecular Weight287.41 g/mol
Exact Mass287.21
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-3-piperidin-1-yl-1,2,4-triazin-5-amine
SMILESC1=C(CCNc2cnnc(N3CCCCC3)n2)CCCC1
InChIInChI=1S/C16H25N5/c1-3-7-14(8-4-1)9-10-17-15-13-18-20-16(19-15)21-11-5-2-6-12-21/h7,13H,1-6,8-12H2,(H,17,19,20)
InChIKeyNEZVCQUUZYWAOR-UHFFFAOYSA-N
XLogP3.16
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]-3-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112942990
N-[2-(cyclohexen-1-yl)ethyl]-2-piperidin-1-ylpyrimidin-4-amine
CID 112884620
N-(2-phenylethyl)-3-pyrrolidin-1-yl-1,2,4-triazin-5-amine
CID 112941265
N-[2-(cyclohexen-1-yl)ethyl]-6-phenyl-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 112934210
3-N-[2-(cyclohexen-1-yl)ethyl]-5-N-(4-pyrrolidin-1-ylphenyl)-1,2,4-triazine-3,5-diamine
CID 112943252
N-(3-methylbutyl)-3-piperidin-1-yl-1,2,4-triazin-5-amine
CID 112942066
4-[2-[[3-(azepan-1-yl)-1,2,4-triazin-5-yl]amino]ethyl]benzenesulfonamide
CID 112955931
N-[2-(cyclopenten-1-yl)ethyl]-5-methylpyridazin-3-amine
CID 106177646
N-[2-(cyclohexen-1-yl)ethyl]-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112855638
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-pyrrolidin-1-yl-1,2,4-triazin-5-amine
CID 112941280
N-[2-(cyclohexen-1-yl)ethyl]-5-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazin-3-amine
CID 112943170
3-N-(2-chlorophenyl)-5-N-[2-(cyclohexen-1-yl)ethyl]-1,2,4-triazine-3,5-diamine
CID 112943035

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-3-piperidin-1-yl-1,2,4-triazin-5-amine?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-3-piperidin-1-yl-1,2,4-triazin-5-amine (CID 112941997) is N-[2-(cyclohexen-1-yl)ethyl]-3-piperidin-1-yl-1,2,4-triazin-5-amine.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-3-piperidin-1-yl-1,2,4-triazin-5-amine?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-3-piperidin-1-yl-1,2,4-triazin-5-amine is C1=C(CCNc2cnnc(N3CCCCC3)n2)CCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-3-piperidin-1-yl-1,2,4-triazin-5-amine?
The InChIKey is NEZVCQUUZYWAOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5/c1-3-7-14(8-4-1)9-10-17-15-13-18-20-16(19-15)21-11-5-2-6-12-21/h7,13H,1-6,8-12H2,(H,17,19,20).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-3-piperidin-1-yl-1,2,4-triazin-5-amine?
N-[2-(cyclohexen-1-yl)ethyl]-3-piperidin-1-yl-1,2,4-triazin-5-amine has a molecular weight of 287.41 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-3-piperidin-1-yl-1,2,4-triazin-5-amine is sourced from PubChem (CID 112941997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).