4-(5-propylpyrrolidin-3-yl)-1,2,4-triazole

C9H16N4 — CID 163478839

IUPAC4-(5-propylpyrrolidin-3-yl)-1,2,4-triazole
SMILESCCCC1CC(n2cnnc2)CN1
InChIInChI=1S/C9H16N4/c1-2-3-8-4-9(5-10-8)13-6-11-12-7-13/h6-10H,2-5H2,1H3
InChIKeyCCUHPGCMCUZONT-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.98
Rot. Bonds3

About 4-(5-propylpyrrolidin-3-yl)-1,2,4-triazole

4-(5-propylpyrrolidin-3-yl)-1,2,4-triazole (PubChem CID 163478839) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is 4-(5-propylpyrrolidin-3-yl)-1,2,4-triazole.

Molecular Properties

Compound Name4-(5-propylpyrrolidin-3-yl)-1,2,4-triazole
PubChem CID163478839
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name4-(5-propylpyrrolidin-3-yl)-1,2,4-triazole
SMILESCCCC1CC(n2cnnc2)CN1
InChIInChI=1S/C9H16N4/c1-2-3-8-4-9(5-10-8)13-6-11-12-7-13/h6-10H,2-5H2,1H3
InChIKeyCCUHPGCMCUZONT-UHFFFAOYSA-N
XLogP0.98
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3R)-5-methylpyrrolidin-3-yl]-1,2,4-triazole
CID 89151158
(2S,4S)-4-ethoxy-2-propylpyrrolidine
CID 99994308
ethane;4-methyl-2-propylpyrrolidine
CID 170743275
2-propylaziridine
CID 544792
4-butoxy-2-propylpyrrolidine
CID 102568603
4-hydroxy-6-propylpiperidine-3-carboxylic acid
CID 130146203
(6-propylpiperidin-3-yl)methanol
CID 105430782
(2S,4R)-2-butyl-4-ethoxypyrrolidine
CID 99994328
2-ethyl-1-methyl-5-propylpiperazine
CID 64846947
6-pentylpiperidine-3,4-diol
CID 122657014
(2R,4S)-4-butoxy-2-butylpyrrolidine
CID 99994485
[(2S,4R)-4-propylpyrrolidin-2-yl]methanol
CID 89351797

Frequently Asked Questions

What is the IUPAC name of 4-(5-propylpyrrolidin-3-yl)-1,2,4-triazole?
The IUPAC name of 4-(5-propylpyrrolidin-3-yl)-1,2,4-triazole (CID 163478839) is 4-(5-propylpyrrolidin-3-yl)-1,2,4-triazole.
What is the SMILES notation for 4-(5-propylpyrrolidin-3-yl)-1,2,4-triazole?
The canonical SMILES for 4-(5-propylpyrrolidin-3-yl)-1,2,4-triazole is CCCC1CC(n2cnnc2)CN1.
What is the InChIKey of 4-(5-propylpyrrolidin-3-yl)-1,2,4-triazole?
The InChIKey is CCUHPGCMCUZONT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-2-3-8-4-9(5-10-8)13-6-11-12-7-13/h6-10H,2-5H2,1H3.
What are the key properties of 4-(5-propylpyrrolidin-3-yl)-1,2,4-triazole?
4-(5-propylpyrrolidin-3-yl)-1,2,4-triazole has a molecular weight of 180.25 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-propylpyrrolidin-3-yl)-1,2,4-triazole is sourced from PubChem (CID 163478839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).