4-propyl-3-(thiophen-3-ylmethyl)-1,2,4-triazole

C10H13N3S — CID 115395118

IUPAC4-propyl-3-(thiophen-3-ylmethyl)-1,2,4-triazole
SMILESCCCn1cnnc1Cc1ccsc1
InChIInChI=1S/C10H13N3S/c1-2-4-13-8-11-12-10(13)6-9-3-5-14-7-9/h3,5,7-8H,2,4,6H2,1H3
InChIKeyHBSPRFJZPVFDKW-UHFFFAOYSA-N
MW207.30 g/mol
LogP2.34
Rot. Bonds4

About 4-propyl-3-(thiophen-3-ylmethyl)-1,2,4-triazole

4-propyl-3-(thiophen-3-ylmethyl)-1,2,4-triazole (PubChem CID 115395118) has the molecular formula C10H13N3S and a molecular weight of 207.30 g/mol. Its IUPAC name is 4-propyl-3-(thiophen-3-ylmethyl)-1,2,4-triazole.

Molecular Properties

Compound Name4-propyl-3-(thiophen-3-ylmethyl)-1,2,4-triazole
PubChem CID115395118
Molecular FormulaC10H13N3S
Molecular Weight207.30 g/mol
Exact Mass207.08
IUPAC Name4-propyl-3-(thiophen-3-ylmethyl)-1,2,4-triazole
SMILESCCCn1cnnc1Cc1ccsc1
InChIInChI=1S/C10H13N3S/c1-2-4-13-8-11-12-10(13)6-9-3-5-14-7-9/h3,5,7-8H,2,4,6H2,1H3
InChIKeyHBSPRFJZPVFDKW-UHFFFAOYSA-N
XLogP2.34
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3,4-dichlorophenyl)methyl]-4-propyl-1,2,4-triazole
CID 113301298
3-(propan-2-yloxymethyl)-4-propyl-1,2,4-triazole
CID 112605961
N-methyl-3-(4-propyl-1,2,4-triazol-3-yl)propan-1-amine
CID 62692198
2-methyl-4-(4-propyl-1,2,4-triazol-3-yl)butan-2-amine
CID 62694477
3-(methylsulfonylmethyl)-4-propyl-1,2,4-triazole
CID 115395149
4-[(4-ethyl-1,2,4-triazol-3-yl)methyl]pyridine
CID 115394759
1-methyl-5-(thiophen-3-ylmethyl)imidazole
CID 59037611
3-(3-chlorothiophen-2-yl)-4-propyl-1,2,4-triazole
CID 115395141
3-[(4-bromophenyl)methyl]-4-(2-methoxyethyl)-1,2,4-triazole
CID 115393752
3-[(4-fluorophenyl)methyl]-4-(2-methoxyethyl)-1,2,4-triazole
CID 113300977
N-[(4-propyl-1,2,4-triazol-3-yl)methyl]butan-2-amine
CID 62694664
(4-propyl-1,2,4-triazol-3-yl)methyl 3-methyl-1,2-thiazole-4-carboxylate
CID 75453232

Frequently Asked Questions

What is the IUPAC name of 4-propyl-3-(thiophen-3-ylmethyl)-1,2,4-triazole?
The IUPAC name of 4-propyl-3-(thiophen-3-ylmethyl)-1,2,4-triazole (CID 115395118) is 4-propyl-3-(thiophen-3-ylmethyl)-1,2,4-triazole.
What is the SMILES notation for 4-propyl-3-(thiophen-3-ylmethyl)-1,2,4-triazole?
The canonical SMILES for 4-propyl-3-(thiophen-3-ylmethyl)-1,2,4-triazole is CCCn1cnnc1Cc1ccsc1.
What is the InChIKey of 4-propyl-3-(thiophen-3-ylmethyl)-1,2,4-triazole?
The InChIKey is HBSPRFJZPVFDKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3S/c1-2-4-13-8-11-12-10(13)6-9-3-5-14-7-9/h3,5,7-8H,2,4,6H2,1H3.
What are the key properties of 4-propyl-3-(thiophen-3-ylmethyl)-1,2,4-triazole?
4-propyl-3-(thiophen-3-ylmethyl)-1,2,4-triazole has a molecular weight of 207.30 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-3-(thiophen-3-ylmethyl)-1,2,4-triazole is sourced from PubChem (CID 115395118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).