4-methyl-5-(2-methylpropyl)-1,5-dihydro-1,2,4-triazole

C7H15N3 — CID 69382928

IUPAC4-methyl-5-(2-methylpropyl)-1,5-dihydro-1,2,4-triazole
SMILESCC(C)CC1NN=CN1C
InChIInChI=1S/C7H15N3/c1-6(2)4-7-9-8-5-10(7)3/h5-7,9H,4H2,1-3H3
InChIKeyAPWPJNLJTJVZFN-UHFFFAOYSA-N
MW141.22 g/mol
LogP0.84
Rot. Bonds2

About 4-methyl-5-(2-methylpropyl)-1,5-dihydro-1,2,4-triazole

4-methyl-5-(2-methylpropyl)-1,5-dihydro-1,2,4-triazole (PubChem CID 69382928) has the molecular formula C7H15N3 and a molecular weight of 141.22 g/mol. Its IUPAC name is 4-methyl-5-(2-methylpropyl)-1,5-dihydro-1,2,4-triazole.

Molecular Properties

Compound Name4-methyl-5-(2-methylpropyl)-1,5-dihydro-1,2,4-triazole
PubChem CID69382928
Molecular FormulaC7H15N3
Molecular Weight141.22 g/mol
Exact Mass141.13
IUPAC Name4-methyl-5-(2-methylpropyl)-1,5-dihydro-1,2,4-triazole
SMILESCC(C)CC1NN=CN1C
InChIInChI=1S/C7H15N3/c1-6(2)4-7-9-8-5-10(7)3/h5-7,9H,4H2,1-3H3
InChIKeyAPWPJNLJTJVZFN-UHFFFAOYSA-N
XLogP0.84
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.22
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(2-methylpropyl)-1,5-dihydro-1,2,4-triazole?
The IUPAC name of 4-methyl-5-(2-methylpropyl)-1,5-dihydro-1,2,4-triazole (CID 69382928) is 4-methyl-5-(2-methylpropyl)-1,5-dihydro-1,2,4-triazole.
What is the SMILES notation for 4-methyl-5-(2-methylpropyl)-1,5-dihydro-1,2,4-triazole?
The canonical SMILES for 4-methyl-5-(2-methylpropyl)-1,5-dihydro-1,2,4-triazole is CC(C)CC1NN=CN1C.
What is the InChIKey of 4-methyl-5-(2-methylpropyl)-1,5-dihydro-1,2,4-triazole?
The InChIKey is APWPJNLJTJVZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3/c1-6(2)4-7-9-8-5-10(7)3/h5-7,9H,4H2,1-3H3.
What are the key properties of 4-methyl-5-(2-methylpropyl)-1,5-dihydro-1,2,4-triazole?
4-methyl-5-(2-methylpropyl)-1,5-dihydro-1,2,4-triazole has a molecular weight of 141.22 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(2-methylpropyl)-1,5-dihydro-1,2,4-triazole is sourced from PubChem (CID 69382928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).