5-ethyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]-1H-pyrrole-2-carboxamide

C12H17N5O — CID 91782567

IUPAC5-ethyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]-1H-pyrrole-2-carboxamide
SMILESCCc1ccc(C(=O)NC(C)Cn2cncn2)[nH]1
InChIInChI=1S/C12H17N5O/c1-3-10-4-5-11(16-10)12(18)15-9(2)6-17-8-13-7-14-17/h4-5,7-9,16H,3,6H2,1-2H3,(H,15,18)
InChIKeyRYUOHQWMHKHUCR-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.99
Rot. Bonds5

About 5-ethyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]-1H-pyrrole-2-carboxamide

5-ethyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]-1H-pyrrole-2-carboxamide (PubChem CID 91782567) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 5-ethyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]-1H-pyrrole-2-carboxamide
PubChem CID91782567
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name5-ethyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]-1H-pyrrole-2-carboxamide
SMILESCCc1ccc(C(=O)NC(C)Cn2cncn2)[nH]1
InChIInChI=1S/C12H17N5O/c1-3-10-4-5-11(16-10)12(18)15-9(2)6-17-8-13-7-14-17/h4-5,7-9,16H,3,6H2,1-2H3,(H,15,18)
InChIKeyRYUOHQWMHKHUCR-UHFFFAOYSA-N
XLogP0.99
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-6-oxo-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]pyridine-3-carboxamide
CID 75461996
3-hydroxy-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]pyridine-2-carboxamide
CID 154805729
2-(benzylamino)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide
CID 75394822
2-(ethylamino)-4-methyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]-1,3-thiazole-5-carboxamide
CID 131937080
4-(4-fluorophenyl)-5-methyl-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]thiophene-2-carboxamide
CID 97050989
4-methyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]thiadiazole-5-carboxamide
CID 110226454
5-methyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]-1H-indazole-3-carboxamide
CID 86846020
2-chloro-4,5-difluoro-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide
CID 91781642
1-(1-hydroxybutan-2-yl)-3-[1-(1,2,4-triazol-1-yl)propan-2-yl]urea
CID 110911522
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide
CID 87019914
5-cyclopropyl-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]-1H-pyrazole-3-carboxamide
CID 92582403
2-phenylmethoxy-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide
CID 135104972

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 5-ethyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]-1H-pyrrole-2-carboxamide (CID 91782567) is 5-ethyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 5-ethyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 5-ethyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]-1H-pyrrole-2-carboxamide is CCc1ccc(C(=O)NC(C)Cn2cncn2)[nH]1.
What is the InChIKey of 5-ethyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]-1H-pyrrole-2-carboxamide?
The InChIKey is RYUOHQWMHKHUCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-3-10-4-5-11(16-10)12(18)15-9(2)6-17-8-13-7-14-17/h4-5,7-9,16H,3,6H2,1-2H3,(H,15,18).
What are the key properties of 5-ethyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]-1H-pyrrole-2-carboxamide?
5-ethyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]-1H-pyrrole-2-carboxamide has a molecular weight of 247.30 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 91782567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).