4-cyclopropyl-1-methylimidazole;5-cyclopropyl-2-methyltetrazole;3-cyclopropyl-1-methyl-1,2,4-triazole;4-cyclopropyl-1-methyltriazole

C24H36N12 — CID 158000441

IUPAC4-cyclopropyl-1-methylimidazole;5-cyclopropyl-2-methyltetrazole;3-cyclopropyl-1-methyl-1,2,4-triazole;4-cyclopropyl-1-methyltriazole
SMILESCn1cc(C2CC2)nn1.Cn1cnc(C2CC2)c1.Cn1cnc(C2CC2)n1.Cn1nnc(C2CC2)n1
InChIInChI=1S/C7H10N2.2C6H9N3.C5H8N4/c1-9-4-7(8-5-9)6-2-3-6;1-9-4-7-6(8-9)5-2-3-5;1-9-4-6(7-8-9)5-2-3-5;1-9-7-5(6-8-9)4-2-3-4/h4-6H,2-3H2,1H3;2*4-5H,2-3H2,1H3;4H,2-3H2,1H3
InChIKeyFDQZSURZRMOBIB-UHFFFAOYSA-N
MW492.64 g/mol
LogP2.77
Rot. Bonds4

About 4-cyclopropyl-1-methylimidazole;5-cyclopropyl-2-methyltetrazole;3-cyclopropyl-1-methyl-1,2,4-triazole;4-cyclopropyl-1-methyltriazole

4-cyclopropyl-1-methylimidazole;5-cyclopropyl-2-methyltetrazole;3-cyclopropyl-1-methyl-1,2,4-triazole;4-cyclopropyl-1-methyltriazole (PubChem CID 158000441) has the molecular formula C24H36N12 and a molecular weight of 492.64 g/mol. Its IUPAC name is 4-cyclopropyl-1-methylimidazole;5-cyclopropyl-2-methyltetrazole;3-cyclopropyl-1-methyl-1,2,4-triazole;4-cyclopropyl-1-methyltriazole.

Molecular Properties

Compound Name4-cyclopropyl-1-methylimidazole;5-cyclopropyl-2-methyltetrazole;3-cyclopropyl-1-methyl-1,2,4-triazole;4-cyclopropyl-1-methyltriazole
PubChem CID158000441
Molecular FormulaC24H36N12
Molecular Weight492.64 g/mol
Exact Mass492.32
IUPAC Name4-cyclopropyl-1-methylimidazole;5-cyclopropyl-2-methyltetrazole;3-cyclopropyl-1-methyl-1,2,4-triazole;4-cyclopropyl-1-methyltriazole
SMILESCn1cc(C2CC2)nn1.Cn1cnc(C2CC2)c1.Cn1cnc(C2CC2)n1.Cn1nnc(C2CC2)n1
InChIInChI=1S/C7H10N2.2C6H9N3.C5H8N4/c1-9-4-7(8-5-9)6-2-3-6;1-9-4-7-6(8-9)5-2-3-5;1-9-4-6(7-8-9)5-2-3-5;1-9-7-5(6-8-9)4-2-3-4/h4-6H,2-3H2,1H3;2*4-5H,2-3H2,1H3;4H,2-3H2,1H3
InChIKeyFDQZSURZRMOBIB-UHFFFAOYSA-N
XLogP2.77
TPSA122.84 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.64
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-1-methylimidazole;5-cyclopropyl-2-methyltetrazole;3-cyclopropyl-1-methyl-1,2,4-triazole;4-cyclopropyl-1-methyltriazole?
The IUPAC name of 4-cyclopropyl-1-methylimidazole;5-cyclopropyl-2-methyltetrazole;3-cyclopropyl-1-methyl-1,2,4-triazole;4-cyclopropyl-1-methyltriazole (CID 158000441) is 4-cyclopropyl-1-methylimidazole;5-cyclopropyl-2-methyltetrazole;3-cyclopropyl-1-methyl-1,2,4-triazole;4-cyclopropyl-1-methyltriazole.
What is the SMILES notation for 4-cyclopropyl-1-methylimidazole;5-cyclopropyl-2-methyltetrazole;3-cyclopropyl-1-methyl-1,2,4-triazole;4-cyclopropyl-1-methyltriazole?
The canonical SMILES for 4-cyclopropyl-1-methylimidazole;5-cyclopropyl-2-methyltetrazole;3-cyclopropyl-1-methyl-1,2,4-triazole;4-cyclopropyl-1-methyltriazole is Cn1cc(C2CC2)nn1.Cn1cnc(C2CC2)c1.Cn1cnc(C2CC2)n1.Cn1nnc(C2CC2)n1.
What is the InChIKey of 4-cyclopropyl-1-methylimidazole;5-cyclopropyl-2-methyltetrazole;3-cyclopropyl-1-methyl-1,2,4-triazole;4-cyclopropyl-1-methyltriazole?
The InChIKey is FDQZSURZRMOBIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2.2C6H9N3.C5H8N4/c1-9-4-7(8-5-9)6-2-3-6;1-9-4-7-6(8-9)5-2-3-5;1-9-4-6(7-8-9)5-2-3-5;1-9-7-5(6-8-9)4-2-3-4/h4-6H,2-3H2,1H3;2*4-5H,2-3H2,1H3;4H,2-3H2,1H3.
What are the key properties of 4-cyclopropyl-1-methylimidazole;5-cyclopropyl-2-methyltetrazole;3-cyclopropyl-1-methyl-1,2,4-triazole;4-cyclopropyl-1-methyltriazole?
4-cyclopropyl-1-methylimidazole;5-cyclopropyl-2-methyltetrazole;3-cyclopropyl-1-methyl-1,2,4-triazole;4-cyclopropyl-1-methyltriazole has a molecular weight of 492.64 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-1-methylimidazole;5-cyclopropyl-2-methyltetrazole;3-cyclopropyl-1-methyl-1,2,4-triazole;4-cyclopropyl-1-methyltriazole is sourced from PubChem (CID 158000441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).