N-(1H-1,2,4-triazol-5-ylmethyl)bicyclo[3.2.0]hept-3-en-6-amine

C10H14N4 — CID 60978477

IUPACN-(1H-1,2,4-triazol-5-ylmethyl)bicyclo[3.2.0]hept-3-en-6-amine
SMILESC1=CC2C(C1)CC2NCc1ncn[nH]1
InChIInChI=1S/C10H14N4/c1-2-7-4-9(8(7)3-1)11-5-10-12-6-13-14-10/h1,3,6-9,11H,2,4-5H2,(H,12,13,14)
InChIKeyRITARJBCJLEIKI-UHFFFAOYSA-N
MW190.25 g/mol
LogP0.86
Rot. Bonds3

About N-(1H-1,2,4-triazol-5-ylmethyl)bicyclo[3.2.0]hept-3-en-6-amine

N-(1H-1,2,4-triazol-5-ylmethyl)bicyclo[3.2.0]hept-3-en-6-amine (PubChem CID 60978477) has the molecular formula C10H14N4 and a molecular weight of 190.25 g/mol. Its IUPAC name is N-(1H-1,2,4-triazol-5-ylmethyl)bicyclo[3.2.0]hept-3-en-6-amine.

Molecular Properties

Compound NameN-(1H-1,2,4-triazol-5-ylmethyl)bicyclo[3.2.0]hept-3-en-6-amine
PubChem CID60978477
Molecular FormulaC10H14N4
Molecular Weight190.25 g/mol
Exact Mass190.12
IUPAC NameN-(1H-1,2,4-triazol-5-ylmethyl)bicyclo[3.2.0]hept-3-en-6-amine
SMILESC1=CC2C(C1)CC2NCc1ncn[nH]1
InChIInChI=1S/C10H14N4/c1-2-7-4-9(8(7)3-1)11-5-10-12-6-13-14-10/h1,3,6-9,11H,2,4-5H2,(H,12,13,14)
InChIKeyRITARJBCJLEIKI-UHFFFAOYSA-N
XLogP0.86
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 50.86
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

[(1R,5S,6S)-3-ethyl-6-(1H-1,2,4-triazol-5-ylmethyl)-6-bicyclo[3.2.0]hept-3-enyl]methanamine
CID 122659356
[3-ethyl-6-(1H-1,2,4-triazol-5-ylmethyl)-6-bicyclo[3.2.0]hept-3-enyl]methanamine
CID 122659357
5-cyclohept-4-en-1-yl-1H-1,2,4-triazole
CID 142256716
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine
CID 43783876
1-(2-bicyclo[2.2.1]hept-5-enyl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine
CID 60978475
1-(2-bicyclo[2.2.1]hept-5-enyl)-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine
CID 60978479
1-cyclohex-3-en-1-yl-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine
CID 60978759
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]bicyclo[3.2.0]hept-3-en-6-amine
CID 61003878
N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine
CID 63332454
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-(1H-1,2,4-triazol-5-yl)propan-1-amine
CID 64517412
N-(cyclohex-3-en-1-ylmethyl)-3-(1H-1,2,4-triazol-5-yl)propan-1-amine
CID 64517797
N-[2-(1H-1,2,4-triazol-5-yl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine
CID 64545610

Frequently Asked Questions

What is the IUPAC name of N-(1H-1,2,4-triazol-5-ylmethyl)bicyclo[3.2.0]hept-3-en-6-amine?
The IUPAC name of N-(1H-1,2,4-triazol-5-ylmethyl)bicyclo[3.2.0]hept-3-en-6-amine (CID 60978477) is N-(1H-1,2,4-triazol-5-ylmethyl)bicyclo[3.2.0]hept-3-en-6-amine.
What is the SMILES notation for N-(1H-1,2,4-triazol-5-ylmethyl)bicyclo[3.2.0]hept-3-en-6-amine?
The canonical SMILES for N-(1H-1,2,4-triazol-5-ylmethyl)bicyclo[3.2.0]hept-3-en-6-amine is C1=CC2C(C1)CC2NCc1ncn[nH]1.
What is the InChIKey of N-(1H-1,2,4-triazol-5-ylmethyl)bicyclo[3.2.0]hept-3-en-6-amine?
The InChIKey is RITARJBCJLEIKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4/c1-2-7-4-9(8(7)3-1)11-5-10-12-6-13-14-10/h1,3,6-9,11H,2,4-5H2,(H,12,13,14).
What are the key properties of N-(1H-1,2,4-triazol-5-ylmethyl)bicyclo[3.2.0]hept-3-en-6-amine?
N-(1H-1,2,4-triazol-5-ylmethyl)bicyclo[3.2.0]hept-3-en-6-amine has a molecular weight of 190.25 g/mol, XLogP of 0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-1,2,4-triazol-5-ylmethyl)bicyclo[3.2.0]hept-3-en-6-amine is sourced from PubChem (CID 60978477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).