1-cyclohex-3-en-1-yl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine

C14H22N4 — CID 113226501

IUPAC1-cyclohex-3-en-1-yl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine
SMILESC1=CCC(CNCc2nnc3n2CCCC3)CC1
InChIInChI=1S/C14H22N4/c1-2-6-12(7-3-1)10-15-11-14-17-16-13-8-4-5-9-18(13)14/h1-2,12,15H,3-11H2
InChIKeyTURWJPDABKVBKE-UHFFFAOYSA-N
MW246.36 g/mol
LogP2.06
Rot. Bonds4

About 1-cyclohex-3-en-1-yl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine

1-cyclohex-3-en-1-yl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine (PubChem CID 113226501) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is 1-cyclohex-3-en-1-yl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine.

Molecular Properties

Compound Name1-cyclohex-3-en-1-yl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine
PubChem CID113226501
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name1-cyclohex-3-en-1-yl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine
SMILESC1=CCC(CNCc2nnc3n2CCCC3)CC1
InChIInChI=1S/C14H22N4/c1-2-6-12(7-3-1)10-15-11-14-17-16-13-8-4-5-9-18(13)14/h1-2,12,15H,3-11H2
InChIKeyTURWJPDABKVBKE-UHFFFAOYSA-N
XLogP2.06
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]cyclopent-2-en-1-amine
CID 79207463
3-[(E)-2-piperidin-4-ylethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 141020169
3-(2-bicyclo[4.1.0]hepta-2,4-dienyl)-7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;ethane
CID 145023612
N-(cyclohex-3-en-1-ylmethyl)-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 43702877
N-(cyclohex-3-en-1-ylmethyl)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethanamine
CID 43748037
N-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)cyclohex-3-ene-1-carboxamide
CID 53548241
1-cyclohex-3-en-1-yl-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 61951129
3-Cyclohexyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 62586613
N-(cyclohex-3-en-1-ylmethyl)-2-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 63329075
1-cyclohex-3-en-1-yl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 65600673
1-cyclohex-3-en-1-yl-N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]methanamine
CID 65607840
1-cyclohex-3-en-1-yl-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 65608035

Frequently Asked Questions

What is the IUPAC name of 1-cyclohex-3-en-1-yl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine?
The IUPAC name of 1-cyclohex-3-en-1-yl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine (CID 113226501) is 1-cyclohex-3-en-1-yl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine.
What is the SMILES notation for 1-cyclohex-3-en-1-yl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine?
The canonical SMILES for 1-cyclohex-3-en-1-yl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine is C1=CCC(CNCc2nnc3n2CCCC3)CC1.
What is the InChIKey of 1-cyclohex-3-en-1-yl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine?
The InChIKey is TURWJPDABKVBKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-2-6-12(7-3-1)10-15-11-14-17-16-13-8-4-5-9-18(13)14/h1-2,12,15H,3-11H2.
What are the key properties of 1-cyclohex-3-en-1-yl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine?
1-cyclohex-3-en-1-yl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine has a molecular weight of 246.36 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohex-3-en-1-yl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine is sourced from PubChem (CID 113226501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).