N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine

C14H20N4 — CID 43791503

IUPACN-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine
SMILESCC(NC1CC2CC=CC21)c1nnc2n1CCC2
InChIInChI=1S/C14H20N4/c1-9(14-17-16-13-6-3-7-18(13)14)15-12-8-10-4-2-5-11(10)12/h2,5,9-12,15H,3-4,6-8H2,1H3
InChIKeyMXDMKYGVQLMWOH-UHFFFAOYSA-N
MW244.34 g/mol
LogP1.84
Rot. Bonds3

About N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine

N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine (PubChem CID 43791503) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine.

Molecular Properties

Compound NameN-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine
PubChem CID43791503
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC NameN-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine
SMILESCC(NC1CC2CC=CC21)c1nnc2n1CCC2
InChIInChI=1S/C14H20N4/c1-9(14-17-16-13-6-3-7-18(13)14)15-12-8-10-4-2-5-11(10)12/h2,5,9-12,15H,3-4,6-8H2,1H3
InChIKeyMXDMKYGVQLMWOH-UHFFFAOYSA-N
XLogP1.84
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine with MolForge

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Related Compounds

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-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 43783874
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine
CID 43783876
N-[1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine
CID 43791292
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethanamine
CID 43791501
1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]ethanamine
CID 43791507
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)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-methylpropan-1-amine
CID 75377977
4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)cyclopent-2-en-1-amine
CID 79216795
N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine
CID 80683140
(1S)-N-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-methylpropan-1-amine
CID 98220456

Frequently Asked Questions

What is the IUPAC name of N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine?
The IUPAC name of N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine (CID 43791503) is N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine.
What is the SMILES notation for N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine?
The canonical SMILES for N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine is CC(NC1CC2CC=CC21)c1nnc2n1CCC2.
What is the InChIKey of N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine?
The InChIKey is MXDMKYGVQLMWOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-9(14-17-16-13-6-3-7-18(13)14)15-12-8-10-4-2-5-11(10)12/h2,5,9-12,15H,3-4,6-8H2,1H3.
What are the key properties of N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine?
N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine has a molecular weight of 244.34 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine is sourced from PubChem (CID 43791503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).