N-[(3-pyridin-4-yl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]-1H-pyrrole-2-carboxamide

C16H16N6O2 — CID 118741070

IUPACN-[(3-pyridin-4-yl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]-1H-pyrrole-2-carboxamide
SMILESO=C(NCC1Cn2nnc(-c3ccncc3)c2CO1)c1ccc[nH]1
InChIInChI=1S/C16H16N6O2/c23-16(13-2-1-5-18-13)19-8-12-9-22-14(10-24-12)15(20-21-22)11-3-6-17-7-4-11/h1-7,12,18H,8-10H2,(H,19,23)
InChIKeyKPTHIGSJNUJOEQ-UHFFFAOYSA-N
MW324.34 g/mol
LogP1.00
Rot. Bonds4

About N-[(3-pyridin-4-yl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]-1H-pyrrole-2-carboxamide

N-[(3-pyridin-4-yl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]-1H-pyrrole-2-carboxamide (PubChem CID 118741070) has the molecular formula C16H16N6O2 and a molecular weight of 324.34 g/mol. Its IUPAC name is N-[(3-pyridin-4-yl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[(3-pyridin-4-yl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]-1H-pyrrole-2-carboxamide
PubChem CID118741070
Molecular FormulaC16H16N6O2
Molecular Weight324.34 g/mol
Exact Mass324.13
IUPAC NameN-[(3-pyridin-4-yl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]-1H-pyrrole-2-carboxamide
SMILESO=C(NCC1Cn2nnc(-c3ccncc3)c2CO1)c1ccc[nH]1
InChIInChI=1S/C16H16N6O2/c23-16(13-2-1-5-18-13)19-8-12-9-22-14(10-24-12)15(20-21-22)11-3-6-17-7-4-11/h1-7,12,18H,8-10H2,(H,19,23)
InChIKeyKPTHIGSJNUJOEQ-UHFFFAOYSA-N
XLogP1.00
TPSA97.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3-pyridin-4-yl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[(3-pyridin-4-yl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]-1H-pyrrole-2-carboxamide (CID 118741070) is N-[(3-pyridin-4-yl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[(3-pyridin-4-yl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[(3-pyridin-4-yl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]-1H-pyrrole-2-carboxamide is O=C(NCC1Cn2nnc(-c3ccncc3)c2CO1)c1ccc[nH]1.
What is the InChIKey of N-[(3-pyridin-4-yl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]-1H-pyrrole-2-carboxamide?
The InChIKey is KPTHIGSJNUJOEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O2/c23-16(13-2-1-5-18-13)19-8-12-9-22-14(10-24-12)15(20-21-22)11-3-6-17-7-4-11/h1-7,12,18H,8-10H2,(H,19,23).
What are the key properties of N-[(3-pyridin-4-yl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]-1H-pyrrole-2-carboxamide?
N-[(3-pyridin-4-yl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]-1H-pyrrole-2-carboxamide has a molecular weight of 324.34 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-pyridin-4-yl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 118741070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).