N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]indolizine-3-carboxamide

C18H15N5O — CID 162638492

IUPACN-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]indolizine-3-carboxamide
SMILESO=C(NCc1ccc(-n2cncn2)cc1)c1ccc2ccccn12
InChIInChI=1S/C18H15N5O/c24-18(17-9-8-15-3-1-2-10-22(15)17)20-11-14-4-6-16(7-5-14)23-13-19-12-21-23/h1-10,12-13H,11H2,(H,20,24)
InChIKeyAJHUMUBRYZLJRM-UHFFFAOYSA-N
MW317.35 g/mol
LogP2.45
Rot. Bonds4

About N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]indolizine-3-carboxamide

N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]indolizine-3-carboxamide (PubChem CID 162638492) has the molecular formula C18H15N5O and a molecular weight of 317.35 g/mol. Its IUPAC name is N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]indolizine-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]indolizine-3-carboxamide
PubChem CID162638492
Molecular FormulaC18H15N5O
Molecular Weight317.35 g/mol
Exact Mass317.13
IUPAC NameN-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]indolizine-3-carboxamide
SMILESO=C(NCc1ccc(-n2cncn2)cc1)c1ccc2ccccn12
InChIInChI=1S/C18H15N5O/c24-18(17-9-8-15-3-1-2-10-22(15)17)20-11-14-4-6-16(7-5-14)23-13-19-12-21-23/h1-10,12-13H,11H2,(H,20,24)
InChIKeyAJHUMUBRYZLJRM-UHFFFAOYSA-N
XLogP2.45
TPSA64.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]indolizine-3-carboxamide?
The IUPAC name of N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]indolizine-3-carboxamide (CID 162638492) is N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]indolizine-3-carboxamide.
What is the SMILES notation for N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]indolizine-3-carboxamide?
The canonical SMILES for N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]indolizine-3-carboxamide is O=C(NCc1ccc(-n2cncn2)cc1)c1ccc2ccccn12.
What is the InChIKey of N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]indolizine-3-carboxamide?
The InChIKey is AJHUMUBRYZLJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O/c24-18(17-9-8-15-3-1-2-10-22(15)17)20-11-14-4-6-16(7-5-14)23-13-19-12-21-23/h1-10,12-13H,11H2,(H,20,24).
What are the key properties of N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]indolizine-3-carboxamide?
N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]indolizine-3-carboxamide has a molecular weight of 317.35 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]indolizine-3-carboxamide is sourced from PubChem (CID 162638492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).