4-(3-amino-1,2,4-triazol-1-yl)-N,N-diethylpyridine-2-carboxamide

C12H16N6O — CID 61176970

IUPAC4-(3-amino-1,2,4-triazol-1-yl)-N,N-diethylpyridine-2-carboxamide
SMILESCCN(CC)C(=O)c1cc(-n2cnc(N)n2)ccn1
InChIInChI=1S/C12H16N6O/c1-3-17(4-2)11(19)10-7-9(5-6-14-10)18-8-15-12(13)16-18/h5-8H,3-4H2,1-2H3,(H2,13,16)
InChIKeySUPGZWZPTVMLHX-UHFFFAOYSA-N
MW260.30 g/mol
LogP0.73
Rot. Bonds4

About 4-(3-amino-1,2,4-triazol-1-yl)-N,N-diethylpyridine-2-carboxamide

4-(3-amino-1,2,4-triazol-1-yl)-N,N-diethylpyridine-2-carboxamide (PubChem CID 61176970) has the molecular formula C12H16N6O and a molecular weight of 260.30 g/mol. Its IUPAC name is 4-(3-amino-1,2,4-triazol-1-yl)-N,N-diethylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-(3-amino-1,2,4-triazol-1-yl)-N,N-diethylpyridine-2-carboxamide
PubChem CID61176970
Molecular FormulaC12H16N6O
Molecular Weight260.30 g/mol
Exact Mass260.14
IUPAC Name4-(3-amino-1,2,4-triazol-1-yl)-N,N-diethylpyridine-2-carboxamide
SMILESCCN(CC)C(=O)c1cc(-n2cnc(N)n2)ccn1
InChIInChI=1S/C12H16N6O/c1-3-17(4-2)11(19)10-7-9(5-6-14-10)18-8-15-12(13)16-18/h5-8H,3-4H2,1-2H3,(H2,13,16)
InChIKeySUPGZWZPTVMLHX-UHFFFAOYSA-N
XLogP0.73
TPSA89.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-diethyl-4-[(3S)-3-hydroxypyrrolidin-1-yl]pyridine-2-carboxamide
CID 94895221
N,N-diethyl-4-[2-(hydroxymethyl)pyrrolidin-1-yl]pyridine-2-carboxamide
CID 61409424
4-[2-aminoethyl(ethyl)amino]-N,N-diethylpyridine-2-carboxamide
CID 63765883
N,N-diethyl-4-(propylamino)pyridine-2-carboxamide
CID 43395263
5-amino-1-(2-chlorophenyl)-N,N-diethylpyrazole-3-carboxamide
CID 82188855
4-(1-aminopropan-2-ylamino)-N,N-diethylpyridine-2-carboxamide
CID 55228575
N,N-diethyl-4-(2-hydroxyethylsulfanyl)pyridine-2-carboxamide
CID 43395189
4-(4-benzylpiperidin-1-yl)-N,N-diethylpyridine-2-carboxamide
CID 109216380
N-benzyl-N-ethyl-4-pyrrolidin-1-ylpyridine-2-carboxamide
CID 109203831
4-(N-benzylanilino)-N,N-diethylpyridine-2-carboxamide
CID 109216457
2-[[2-(diethylcarbamoyl)-4-pyridinyl]amino]oxyacetic acid
CID 115572227
4-[2-aminoethyl(butyl)amino]-N,N-diethylpyridine-2-carboxamide
CID 63764911

Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-1,2,4-triazol-1-yl)-N,N-diethylpyridine-2-carboxamide?
The IUPAC name of 4-(3-amino-1,2,4-triazol-1-yl)-N,N-diethylpyridine-2-carboxamide (CID 61176970) is 4-(3-amino-1,2,4-triazol-1-yl)-N,N-diethylpyridine-2-carboxamide.
What is the SMILES notation for 4-(3-amino-1,2,4-triazol-1-yl)-N,N-diethylpyridine-2-carboxamide?
The canonical SMILES for 4-(3-amino-1,2,4-triazol-1-yl)-N,N-diethylpyridine-2-carboxamide is CCN(CC)C(=O)c1cc(-n2cnc(N)n2)ccn1.
What is the InChIKey of 4-(3-amino-1,2,4-triazol-1-yl)-N,N-diethylpyridine-2-carboxamide?
The InChIKey is SUPGZWZPTVMLHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O/c1-3-17(4-2)11(19)10-7-9(5-6-14-10)18-8-15-12(13)16-18/h5-8H,3-4H2,1-2H3,(H2,13,16).
What are the key properties of 4-(3-amino-1,2,4-triazol-1-yl)-N,N-diethylpyridine-2-carboxamide?
4-(3-amino-1,2,4-triazol-1-yl)-N,N-diethylpyridine-2-carboxamide has a molecular weight of 260.30 g/mol, XLogP of 0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-1,2,4-triazol-1-yl)-N,N-diethylpyridine-2-carboxamide is sourced from PubChem (CID 61176970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).