N-[(4-methyl-1,2,4-triazol-3-yl)methyl]bicyclo[3.2.0]hept-3-en-6-amine

C11H16N4 — CID 61003878

IUPACN-[(4-methyl-1,2,4-triazol-3-yl)methyl]bicyclo[3.2.0]hept-3-en-6-amine
SMILESCn1cnnc1CNC1CC2CC=CC21
InChIInChI=1S/C11H16N4/c1-15-7-13-14-11(15)6-12-10-5-8-3-2-4-9(8)10/h2,4,7-10,12H,3,5-6H2,1H3
InChIKeyKDSUDPOOWOQCRR-UHFFFAOYSA-N
MW204.28 g/mol
LogP0.87
Rot. Bonds3

About N-[(4-methyl-1,2,4-triazol-3-yl)methyl]bicyclo[3.2.0]hept-3-en-6-amine

N-[(4-methyl-1,2,4-triazol-3-yl)methyl]bicyclo[3.2.0]hept-3-en-6-amine (PubChem CID 61003878) has the molecular formula C11H16N4 and a molecular weight of 204.28 g/mol. Its IUPAC name is N-[(4-methyl-1,2,4-triazol-3-yl)methyl]bicyclo[3.2.0]hept-3-en-6-amine.

Molecular Properties

Compound NameN-[(4-methyl-1,2,4-triazol-3-yl)methyl]bicyclo[3.2.0]hept-3-en-6-amine
PubChem CID61003878
Molecular FormulaC11H16N4
Molecular Weight204.28 g/mol
Exact Mass204.14
IUPAC NameN-[(4-methyl-1,2,4-triazol-3-yl)methyl]bicyclo[3.2.0]hept-3-en-6-amine
SMILESCn1cnnc1CNC1CC2CC=CC21
InChIInChI=1S/C11H16N4/c1-15-7-13-14-11(15)6-12-10-5-8-3-2-4-9(8)10/h2,4,7-10,12H,3,5-6H2,1H3
InChIKeyKDSUDPOOWOQCRR-UHFFFAOYSA-N
XLogP0.87
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.28
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-1,2,4-triazol-3-yl)methyl]bicyclo[3.2.0]hept-3-en-6-amine?
The IUPAC name of N-[(4-methyl-1,2,4-triazol-3-yl)methyl]bicyclo[3.2.0]hept-3-en-6-amine (CID 61003878) is N-[(4-methyl-1,2,4-triazol-3-yl)methyl]bicyclo[3.2.0]hept-3-en-6-amine.
What is the SMILES notation for N-[(4-methyl-1,2,4-triazol-3-yl)methyl]bicyclo[3.2.0]hept-3-en-6-amine?
The canonical SMILES for N-[(4-methyl-1,2,4-triazol-3-yl)methyl]bicyclo[3.2.0]hept-3-en-6-amine is Cn1cnnc1CNC1CC2CC=CC21.
What is the InChIKey of N-[(4-methyl-1,2,4-triazol-3-yl)methyl]bicyclo[3.2.0]hept-3-en-6-amine?
The InChIKey is KDSUDPOOWOQCRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4/c1-15-7-13-14-11(15)6-12-10-5-8-3-2-4-9(8)10/h2,4,7-10,12H,3,5-6H2,1H3.
What are the key properties of N-[(4-methyl-1,2,4-triazol-3-yl)methyl]bicyclo[3.2.0]hept-3-en-6-amine?
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]bicyclo[3.2.0]hept-3-en-6-amine has a molecular weight of 204.28 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-1,2,4-triazol-3-yl)methyl]bicyclo[3.2.0]hept-3-en-6-amine is sourced from PubChem (CID 61003878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).