N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-1-propan-2-ylpyrrole-2-carboxamide

C12H17N5O2 — CID 104817829

IUPACN-(3-ethoxy-1H-1,2,4-triazol-5-yl)-1-propan-2-ylpyrrole-2-carboxamide
SMILESCCOc1n[nH]c(NC(=O)c2cccn2C(C)C)n1
InChIInChI=1S/C12H17N5O2/c1-4-19-12-14-11(15-16-12)13-10(18)9-6-5-7-17(9)8(2)3/h5-8H,4H2,1-3H3,(H2,13,14,15,16,18)
InChIKeyIIWZRAFQXUJSSJ-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.84
Rot. Bonds5

About N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-1-propan-2-ylpyrrole-2-carboxamide

N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-1-propan-2-ylpyrrole-2-carboxamide (PubChem CID 104817829) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-1-propan-2-ylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(3-ethoxy-1H-1,2,4-triazol-5-yl)-1-propan-2-ylpyrrole-2-carboxamide
PubChem CID104817829
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC NameN-(3-ethoxy-1H-1,2,4-triazol-5-yl)-1-propan-2-ylpyrrole-2-carboxamide
SMILESCCOc1n[nH]c(NC(=O)c2cccn2C(C)C)n1
InChIInChI=1S/C12H17N5O2/c1-4-19-12-14-11(15-16-12)13-10(18)9-6-5-7-17(9)8(2)3/h5-8H,4H2,1-3H3,(H2,13,14,15,16,18)
InChIKeyIIWZRAFQXUJSSJ-UHFFFAOYSA-N
XLogP1.84
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methoxy-1H-1,2,4-triazol-5-yl)-1-propan-2-ylpyrrole-2-carboxamide
CID 83102385
1-(2,2-difluoroethyl)-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)pyrrole-2-carboxamide
CID 114609996
4,5-dichloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-1-methylpyrrole-2-carboxamide
CID 104817061
N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-methylbenzamide
CID 104818159
6-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)pyridazine-3-carboxamide
CID 114037244
4-bromo-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-1-methylpyrrole-2-carboxamide
CID 113456488
4-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)benzene-1,4-dicarboxamide
CID 104818136
2,3-dichloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)benzamide
CID 104817090
3-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)benzamide
CID 104817083
2-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-3-methylbenzamide
CID 104818354
N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2,3,4-trifluorobenzamide
CID 104818343
5-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 104818172

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-1-propan-2-ylpyrrole-2-carboxamide?
The IUPAC name of N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-1-propan-2-ylpyrrole-2-carboxamide (CID 104817829) is N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-1-propan-2-ylpyrrole-2-carboxamide.
What is the SMILES notation for N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-1-propan-2-ylpyrrole-2-carboxamide?
The canonical SMILES for N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-1-propan-2-ylpyrrole-2-carboxamide is CCOc1n[nH]c(NC(=O)c2cccn2C(C)C)n1.
What is the InChIKey of N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-1-propan-2-ylpyrrole-2-carboxamide?
The InChIKey is IIWZRAFQXUJSSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2/c1-4-19-12-14-11(15-16-12)13-10(18)9-6-5-7-17(9)8(2)3/h5-8H,4H2,1-3H3,(H2,13,14,15,16,18).
What are the key properties of N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-1-propan-2-ylpyrrole-2-carboxamide?
N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-1-propan-2-ylpyrrole-2-carboxamide has a molecular weight of 263.30 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-1-propan-2-ylpyrrole-2-carboxamide is sourced from PubChem (CID 104817829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).