4-[5-(furan-3-yl)-3-propan-2-yl-1,2,4-triazol-1-yl]-3-methylpyridine

C15H16N4O — CID 50957575

IUPAC4-[5-(furan-3-yl)-3-propan-2-yl-1,2,4-triazol-1-yl]-3-methylpyridine
SMILESCc1cnccc1-n1nc(C(C)C)nc1-c1ccoc1
InChIInChI=1S/C15H16N4O/c1-10(2)14-17-15(12-5-7-20-9-12)19(18-14)13-4-6-16-8-11(13)3/h4-10H,1-3H3
InChIKeyLUVHNWRGRPBSMF-UHFFFAOYSA-N
MW268.32 g/mol
LogP3.35
Rot. Bonds3

About 4-[5-(furan-3-yl)-3-propan-2-yl-1,2,4-triazol-1-yl]-3-methylpyridine

4-[5-(furan-3-yl)-3-propan-2-yl-1,2,4-triazol-1-yl]-3-methylpyridine (PubChem CID 50957575) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 4-[5-(furan-3-yl)-3-propan-2-yl-1,2,4-triazol-1-yl]-3-methylpyridine.

Molecular Properties

Compound Name4-[5-(furan-3-yl)-3-propan-2-yl-1,2,4-triazol-1-yl]-3-methylpyridine
PubChem CID50957575
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name4-[5-(furan-3-yl)-3-propan-2-yl-1,2,4-triazol-1-yl]-3-methylpyridine
SMILESCc1cnccc1-n1nc(C(C)C)nc1-c1ccoc1
InChIInChI=1S/C15H16N4O/c1-10(2)14-17-15(12-5-7-20-9-12)19(18-14)13-4-6-16-8-11(13)3/h4-10H,1-3H3
InChIKeyLUVHNWRGRPBSMF-UHFFFAOYSA-N
XLogP3.35
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(furan-3-yl)-3-propan-2-yl-1,2,4-triazol-1-yl]-3-methylpyridine?
The IUPAC name of 4-[5-(furan-3-yl)-3-propan-2-yl-1,2,4-triazol-1-yl]-3-methylpyridine (CID 50957575) is 4-[5-(furan-3-yl)-3-propan-2-yl-1,2,4-triazol-1-yl]-3-methylpyridine.
What is the SMILES notation for 4-[5-(furan-3-yl)-3-propan-2-yl-1,2,4-triazol-1-yl]-3-methylpyridine?
The canonical SMILES for 4-[5-(furan-3-yl)-3-propan-2-yl-1,2,4-triazol-1-yl]-3-methylpyridine is Cc1cnccc1-n1nc(C(C)C)nc1-c1ccoc1.
What is the InChIKey of 4-[5-(furan-3-yl)-3-propan-2-yl-1,2,4-triazol-1-yl]-3-methylpyridine?
The InChIKey is LUVHNWRGRPBSMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-10(2)14-17-15(12-5-7-20-9-12)19(18-14)13-4-6-16-8-11(13)3/h4-10H,1-3H3.
What are the key properties of 4-[5-(furan-3-yl)-3-propan-2-yl-1,2,4-triazol-1-yl]-3-methylpyridine?
4-[5-(furan-3-yl)-3-propan-2-yl-1,2,4-triazol-1-yl]-3-methylpyridine has a molecular weight of 268.32 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(furan-3-yl)-3-propan-2-yl-1,2,4-triazol-1-yl]-3-methylpyridine is sourced from PubChem (CID 50957575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).