4-methyl-5-propyl-1,5-dihydro-1,2,4-triazole

C6H13N3 — CID 69382540

IUPAC4-methyl-5-propyl-1,5-dihydro-1,2,4-triazole
SMILESCCCC1NN=CN1C
InChIInChI=1S/C6H13N3/c1-3-4-6-8-7-5-9(6)2/h5-6,8H,3-4H2,1-2H3
InChIKeyFMHNPOIPQKCPBG-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.59
Rot. Bonds2

About 4-methyl-5-propyl-1,5-dihydro-1,2,4-triazole

4-methyl-5-propyl-1,5-dihydro-1,2,4-triazole (PubChem CID 69382540) has the molecular formula C6H13N3 and a molecular weight of 127.19 g/mol. Its IUPAC name is 4-methyl-5-propyl-1,5-dihydro-1,2,4-triazole.

Molecular Properties

Compound Name4-methyl-5-propyl-1,5-dihydro-1,2,4-triazole
PubChem CID69382540
Molecular FormulaC6H13N3
Molecular Weight127.19 g/mol
Exact Mass127.11
IUPAC Name4-methyl-5-propyl-1,5-dihydro-1,2,4-triazole
SMILESCCCC1NN=CN1C
InChIInChI=1S/C6H13N3/c1-3-4-6-8-7-5-9(6)2/h5-6,8H,3-4H2,1-2H3
InChIKeyFMHNPOIPQKCPBG-UHFFFAOYSA-N
XLogP0.59
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-propyl-1,5-dihydro-1,2,4-triazole?
The IUPAC name of 4-methyl-5-propyl-1,5-dihydro-1,2,4-triazole (CID 69382540) is 4-methyl-5-propyl-1,5-dihydro-1,2,4-triazole.
What is the SMILES notation for 4-methyl-5-propyl-1,5-dihydro-1,2,4-triazole?
The canonical SMILES for 4-methyl-5-propyl-1,5-dihydro-1,2,4-triazole is CCCC1NN=CN1C.
What is the InChIKey of 4-methyl-5-propyl-1,5-dihydro-1,2,4-triazole?
The InChIKey is FMHNPOIPQKCPBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3/c1-3-4-6-8-7-5-9(6)2/h5-6,8H,3-4H2,1-2H3.
What are the key properties of 4-methyl-5-propyl-1,5-dihydro-1,2,4-triazole?
4-methyl-5-propyl-1,5-dihydro-1,2,4-triazole has a molecular weight of 127.19 g/mol, XLogP of 0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-propyl-1,5-dihydro-1,2,4-triazole is sourced from PubChem (CID 69382540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).