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

C19H26N8 — CID 112943170

IUPACN-[2-(cyclohexen-1-yl)ethyl]-5-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazin-3-amine
SMILESC1=C(CCNc2nncc(N3CCN(c4ncccn4)CC3)n2)CCCC1
InChIInChI=1S/C19H26N8/c1-2-5-16(6-3-1)7-10-20-18-24-17(15-23-25-18)26-11-13-27(14-12-26)19-21-8-4-9-22-19/h4-5,8-9,15H,1-3,6-7,10-14H2,(H,20,24,25)
InChIKeyKNFUPUZECKLBKJ-UHFFFAOYSA-N
MW366.47 g/mol
LogP2.29
Rot. Bonds6

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

N-[2-(cyclohexen-1-yl)ethyl]-5-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazin-3-amine (PubChem CID 112943170) has the molecular formula C19H26N8 and a molecular weight of 366.47 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-5-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-5-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazin-3-amine
PubChem CID112943170
Molecular FormulaC19H26N8
Molecular Weight366.47 g/mol
Exact Mass366.23
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-5-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazin-3-amine
SMILESC1=C(CCNc2nncc(N3CCN(c4ncccn4)CC3)n2)CCCC1
InChIInChI=1S/C19H26N8/c1-2-5-16(6-3-1)7-10-20-18-24-17(15-23-25-18)26-11-13-27(14-12-26)19-21-8-4-9-22-19/h4-5,8-9,15H,1-3,6-7,10-14H2,(H,20,24,25)
InChIKeyKNFUPUZECKLBKJ-UHFFFAOYSA-N
XLogP2.29
TPSA82.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]-5-[4-(4-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-3-amine
CID 112943154
N-(2-phenylethyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazin-3-amine
CID 112952966
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]-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112943182
N-[2-(cyclohexen-1-yl)ethyl]-4-(4-ethylpiperazin-1-yl)pyrimidin-2-amine
CID 112885536
N-[(4-fluorophenyl)methyl]-5-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazin-3-amine
CID 112950060
N-[2-(cyclohexen-1-yl)ethyl]-3-piperidin-1-yl-1,2,4-triazin-5-amine
CID 112941997
N-(pyridin-3-ylmethyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazin-3-amine
CID 112952345
N-[(2-fluorophenyl)methyl]-5-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazin-3-amine
CID 112949737
3-N-[2-(cyclohexen-1-yl)ethyl]-5-N-(4-pyrrolidin-1-ylphenyl)-1,2,4-triazine-3,5-diamine
CID 112943252
[6-[2-(cyclohexen-1-yl)ethylamino]-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109152726
N-[2-(cyclohexen-1-yl)ethyl]-4-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidin-2-amine
CID 112885578

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-5-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazin-3-amine?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-5-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazin-3-amine (CID 112943170) is N-[2-(cyclohexen-1-yl)ethyl]-5-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazin-3-amine.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-5-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazin-3-amine?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-5-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazin-3-amine is C1=C(CCNc2nncc(N3CCN(c4ncccn4)CC3)n2)CCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-5-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazin-3-amine?
The InChIKey is KNFUPUZECKLBKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N8/c1-2-5-16(6-3-1)7-10-20-18-24-17(15-23-25-18)26-11-13-27(14-12-26)19-21-8-4-9-22-19/h4-5,8-9,15H,1-3,6-7,10-14H2,(H,20,24,25).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-5-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazin-3-amine?
N-[2-(cyclohexen-1-yl)ethyl]-5-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazin-3-amine has a molecular weight of 366.47 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-5-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 112943170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).