4-methyl-3-[2-[2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]ethylsulfanyl]-1,2,4-triazole

C15H15N7OS — CID 56864821

IUPAC4-methyl-3-[2-[2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]ethylsulfanyl]-1,2,4-triazole
SMILESCn1cnnc1SCCn1ccnc1-c1ccc(-c2ccn[nH]2)o1
InChIInChI=1S/C15H15N7OS/c1-21-10-18-20-15(21)24-9-8-22-7-6-16-14(22)13-3-2-12(23-13)11-4-5-17-19-11/h2-7,10H,8-9H2,1H3,(H,17,19)
InChIKeyHUACRLQJQPYRSZ-UHFFFAOYSA-N
MW341.40 g/mol
LogP2.45
Rot. Bonds6

About 4-methyl-3-[2-[2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]ethylsulfanyl]-1,2,4-triazole

4-methyl-3-[2-[2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]ethylsulfanyl]-1,2,4-triazole (PubChem CID 56864821) has the molecular formula C15H15N7OS and a molecular weight of 341.40 g/mol. Its IUPAC name is 4-methyl-3-[2-[2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]ethylsulfanyl]-1,2,4-triazole.

Molecular Properties

Compound Name4-methyl-3-[2-[2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]ethylsulfanyl]-1,2,4-triazole
PubChem CID56864821
Molecular FormulaC15H15N7OS
Molecular Weight341.40 g/mol
Exact Mass341.11
IUPAC Name4-methyl-3-[2-[2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]ethylsulfanyl]-1,2,4-triazole
SMILESCn1cnnc1SCCn1ccnc1-c1ccc(-c2ccn[nH]2)o1
InChIInChI=1S/C15H15N7OS/c1-21-10-18-20-15(21)24-9-8-22-7-6-16-14(22)13-3-2-12(23-13)11-4-5-17-19-11/h2-7,10H,8-9H2,1H3,(H,17,19)
InChIKeyHUACRLQJQPYRSZ-UHFFFAOYSA-N
XLogP2.45
TPSA90.35 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.40
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-(2-methyl-1H-imidazol-1-yl)-1-{[5-(1H-pyrazol-3-yl)-2-furyl]methyl}piperidine-4-carboxylic acid
CID 56889669
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3-(5-{1-[3-(1H-imidazol-1-yl)propyl]-1H-imidazol-2-yl}-2-furyl)-1H-pyrazole
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CID 56876890
3-propyl-5-({2-[5-(1H-pyrazol-3-yl)-2-furyl]-1H-imidazol-1-yl}methyl)isoxazole
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(1S)-1-[1-methyl-5-[2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]benzimidazol-2-yl]ethanol
CID 96397816
(3S)-3-[3-methyl-5-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-1,2,4-triazol-1-yl]thiolane 1,1-dioxide
CID 97434285
1-(1-isobutyl-1H-imidazol-5-yl)-N-{[5-(1H-pyrazol-3-yl)-2-furyl]methyl}methanamine
CID 131943588
N-{[1-(3-fluorophenyl)-3-(5-methyl-2-furyl)-1H-pyrazol-4-yl]methyl}-2-[(1-methyl-1H-imidazol-2-yl)thio]ethanamine
CID 42289401
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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[2-[2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]ethylsulfanyl]-1,2,4-triazole?
The IUPAC name of 4-methyl-3-[2-[2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]ethylsulfanyl]-1,2,4-triazole (CID 56864821) is 4-methyl-3-[2-[2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]ethylsulfanyl]-1,2,4-triazole.
What is the SMILES notation for 4-methyl-3-[2-[2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]ethylsulfanyl]-1,2,4-triazole?
The canonical SMILES for 4-methyl-3-[2-[2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]ethylsulfanyl]-1,2,4-triazole is Cn1cnnc1SCCn1ccnc1-c1ccc(-c2ccn[nH]2)o1.
What is the InChIKey of 4-methyl-3-[2-[2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]ethylsulfanyl]-1,2,4-triazole?
The InChIKey is HUACRLQJQPYRSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N7OS/c1-21-10-18-20-15(21)24-9-8-22-7-6-16-14(22)13-3-2-12(23-13)11-4-5-17-19-11/h2-7,10H,8-9H2,1H3,(H,17,19).
What are the key properties of 4-methyl-3-[2-[2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]ethylsulfanyl]-1,2,4-triazole?
4-methyl-3-[2-[2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]ethylsulfanyl]-1,2,4-triazole has a molecular weight of 341.40 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[2-[2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]ethylsulfanyl]-1,2,4-triazole is sourced from PubChem (CID 56864821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).