phenyl N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamate

C17H15N5O2 — CID 171484382

IUPACphenyl N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamate
SMILESO=C(Nc1cccc(-c2nncn2C2CC2)n1)Oc1ccccc1
InChIInChI=1S/C17H15N5O2/c23-17(24-13-5-2-1-3-6-13)20-15-8-4-7-14(19-15)16-21-18-11-22(16)12-9-10-12/h1-8,11-12H,9-10H2,(H,19,20,23)
InChIKeyUIILEMQYDDSDPD-UHFFFAOYSA-N
MW321.34 g/mol
LogP3.29
Rot. Bonds4

About phenyl N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamate

phenyl N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamate (PubChem CID 171484382) has the molecular formula C17H15N5O2 and a molecular weight of 321.34 g/mol. Its IUPAC name is phenyl N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamate.

Molecular Properties

Compound Namephenyl N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamate
PubChem CID171484382
Molecular FormulaC17H15N5O2
Molecular Weight321.34 g/mol
Exact Mass321.12
IUPAC Namephenyl N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamate
SMILESO=C(Nc1cccc(-c2nncn2C2CC2)n1)Oc1ccccc1
InChIInChI=1S/C17H15N5O2/c23-17(24-13-5-2-1-3-6-13)20-15-8-4-7-14(19-15)16-21-18-11-22(16)12-9-10-12/h1-8,11-12H,9-10H2,(H,19,20,23)
InChIKeyUIILEMQYDDSDPD-UHFFFAOYSA-N
XLogP3.29
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-phenoxybenzamide
CID 135347965
N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-pyrimidin-4-yloxybenzamide
CID 135347920
N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-pyridin-4-ylpyridine-2-carboxamide
CID 118450800
N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-4-(5-phenyl-1,2-dihydroimidazol-3-yl)pyridine-2-carboxamide
CID 66900603
3-methoxy-1-methyl-N-[6-[4-[(3R)-oxolan-3-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide
CID 146381583
N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-[4-[(1R)-2,2,2-trifluoro-1-methoxyethyl]imidazol-1-yl]benzamide
CID 166690992
4-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]pyridine-2-carboxamide;hydrochloride
CID 146345635
5-bromo-N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-[(2-fluorophenyl)methyl]-2-oxopyridine-3-carboxamide
CID 171483457
N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-(5-propan-2-yl-1,2-dihydroimidazol-3-yl)benzamide
CID 155359333
N-[6-(4-cyclopentyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-methyl-6-oxo-3-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridine-5-carboxamide
CID 171483474
phenyl N-(1-phenylpyrazol-3-yl)carbamate
CID 110472459
2-methyl-6-(phenoxycarbonylamino)pyridine-3-carboxylic acid
CID 90422775

Frequently Asked Questions

What is the IUPAC name of phenyl N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamate?
The IUPAC name of phenyl N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamate (CID 171484382) is phenyl N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamate.
What is the SMILES notation for phenyl N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamate?
The canonical SMILES for phenyl N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamate is O=C(Nc1cccc(-c2nncn2C2CC2)n1)Oc1ccccc1.
What is the InChIKey of phenyl N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamate?
The InChIKey is UIILEMQYDDSDPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O2/c23-17(24-13-5-2-1-3-6-13)20-15-8-4-7-14(19-15)16-21-18-11-22(16)12-9-10-12/h1-8,11-12H,9-10H2,(H,19,20,23).
What are the key properties of phenyl N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamate?
phenyl N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamate has a molecular weight of 321.34 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamate is sourced from PubChem (CID 171484382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).