1-cyclohex-3-en-1-yl-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine

C10H16N4 — CID 60978759

IUPAC1-cyclohex-3-en-1-yl-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine
SMILESC1=CCC(CNCc2ncn[nH]2)CC1
InChIInChI=1S/C10H16N4/c1-2-4-9(5-3-1)6-11-7-10-12-8-13-14-10/h1-2,8-9,11H,3-7H2,(H,12,13,14)
InChIKeyAGXWJRJVBWTFCA-UHFFFAOYSA-N
MW192.27 g/mol
LogP1.25
Rot. Bonds4

About 1-cyclohex-3-en-1-yl-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine

1-cyclohex-3-en-1-yl-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine (PubChem CID 60978759) has the molecular formula C10H16N4 and a molecular weight of 192.27 g/mol. Its IUPAC name is 1-cyclohex-3-en-1-yl-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine.

Molecular Properties

Compound Name1-cyclohex-3-en-1-yl-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine
PubChem CID60978759
Molecular FormulaC10H16N4
Molecular Weight192.27 g/mol
Exact Mass192.14
IUPAC Name1-cyclohex-3-en-1-yl-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine
SMILESC1=CCC(CNCc2ncn[nH]2)CC1
InChIInChI=1S/C10H16N4/c1-2-4-9(5-3-1)6-11-7-10-12-8-13-14-10/h1-2,8-9,11H,3-7H2,(H,12,13,14)
InChIKeyAGXWJRJVBWTFCA-UHFFFAOYSA-N
XLogP1.25
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.27
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-cyclohex-3-en-1-yl-1H-1,2,4-triazole
CID 91374929
5-cyclohex-2-en-1-yl-1H-1,2,4-triazole
CID 91378833
5-cyclohept-4-en-1-yl-1H-1,2,4-triazole
CID 142256716
4-[(E,2R,3S)-4-chloro-3-methyl-5-(1H-1,2,4-triazol-5-yl)pent-4-en-2-yl]piperidine
CID 163494872
(Z)-4-(5-methyl-1H-1,2,4-triazol-3-yl)dec-7-en-1-amine
CID 163878218
N-(cyclohex-3-en-1-ylmethyl)-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 43702877
1-cyclohexyl-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine
CID 60977957
1-(2-bicyclo[2.2.1]hept-5-enyl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine
CID 60978475
N-(1H-1,2,4-triazol-5-ylmethyl)bicyclo[3.2.0]hept-3-en-6-amine
CID 60978477
1-(2-bicyclo[2.2.1]hept-5-enyl)-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine
CID 60978479
N-(1H-1,2,4-triazol-5-ylmethyl)cyclohex-3-ene-1-carboxamide
CID 60983297
2-cyclopent-2-en-1-yl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 60983300

Frequently Asked Questions

What is the IUPAC name of 1-cyclohex-3-en-1-yl-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine?
The IUPAC name of 1-cyclohex-3-en-1-yl-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine (CID 60978759) is 1-cyclohex-3-en-1-yl-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine.
What is the SMILES notation for 1-cyclohex-3-en-1-yl-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine?
The canonical SMILES for 1-cyclohex-3-en-1-yl-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine is C1=CCC(CNCc2ncn[nH]2)CC1.
What is the InChIKey of 1-cyclohex-3-en-1-yl-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine?
The InChIKey is AGXWJRJVBWTFCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4/c1-2-4-9(5-3-1)6-11-7-10-12-8-13-14-10/h1-2,8-9,11H,3-7H2,(H,12,13,14).
What are the key properties of 1-cyclohex-3-en-1-yl-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine?
1-cyclohex-3-en-1-yl-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine has a molecular weight of 192.27 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohex-3-en-1-yl-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine is sourced from PubChem (CID 60978759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).