4-propyl-2H-triazole

C5H9N3 — CID 14794988

IUPAC4-propyl-2H-triazole
SMILESCCCc1cn[nH]n1
InChIInChI=1S/C5H9N3/c1-2-3-5-4-6-8-7-5/h4H,2-3H2,1H3,(H,6,7,8)
InChIKeyHECJQIPEEHNWCS-UHFFFAOYSA-N
MW111.15 g/mol
LogP0.76
Rot. Bonds2

About 4-propyl-2H-triazole

4-propyl-2H-triazole (PubChem CID 14794988) has the molecular formula C5H9N3 and a molecular weight of 111.15 g/mol. Its IUPAC name is 4-propyl-2H-triazole.

Molecular Properties

Compound Name4-propyl-2H-triazole
PubChem CID14794988
Molecular FormulaC5H9N3
Molecular Weight111.15 g/mol
Exact Mass111.08
IUPAC Name4-propyl-2H-triazole
SMILESCCCc1cn[nH]n1
InChIInChI=1S/C5H9N3/c1-2-3-5-4-6-8-7-5/h4H,2-3H2,1H3,(H,6,7,8)
InChIKeyHECJQIPEEHNWCS-UHFFFAOYSA-N
XLogP0.76
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.15
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(3E)-4,8-dimethylnona-3,7-dienyl]-2H-triazole
CID 44453696
3-(1H-1,2,3-triazol-4-yl)propan-1-amine dihydrochloride
CID 138040989
4-Cyclopropyl-1H-1,2,3-triazole
CID 22401764
4-(2-fluoroethyl)-2H-triazole
CID 54306953
3-(1H-1,2,3-triazol-4-yl)propan-1-amine
CID 57177127
4-octyl-2H-triazole
CID 254046
3-(2-methyl-2H-1,2,3-triazol-4-yl)propan-1-amine
CID 119032119
4-cyclopropyl-1H-1,2,3-triazole hydrochloride
CID 121553542
4-(1,1,2,2,3,3-Hexafluoropropyl)-2h-[1,2,3]triazole
CID 129793612
4-hexyl-2H-triazole
CID 254042
4-decyl-2H-triazole
CID 256339
4-nonyl-2H-triazole
CID 256340

Frequently Asked Questions

What is the IUPAC name of 4-propyl-2H-triazole?
The IUPAC name of 4-propyl-2H-triazole (CID 14794988) is 4-propyl-2H-triazole.
What is the SMILES notation for 4-propyl-2H-triazole?
The canonical SMILES for 4-propyl-2H-triazole is CCCc1cn[nH]n1.
What is the InChIKey of 4-propyl-2H-triazole?
The InChIKey is HECJQIPEEHNWCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3/c1-2-3-5-4-6-8-7-5/h4H,2-3H2,1H3,(H,6,7,8).
What are the key properties of 4-propyl-2H-triazole?
4-propyl-2H-triazole has a molecular weight of 111.15 g/mol, XLogP of 0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-2H-triazole is sourced from PubChem (CID 14794988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).