2-(3-amino-1,2,4-triazol-1-yl)-N-[(3-ethyl-2-pyridinyl)methyl]acetamide

C12H16N6O — CID 82741688

IUPAC2-(3-amino-1,2,4-triazol-1-yl)-N-[(3-ethyl-2-pyridinyl)methyl]acetamide
SMILESCCc1cccnc1CNC(=O)Cn1cnc(N)n1
InChIInChI=1S/C12H16N6O/c1-2-9-4-3-5-14-10(9)6-15-11(19)7-18-8-16-12(13)17-18/h3-5,8H,2,6-7H2,1H3,(H2,13,17)(H,15,19)
InChIKeySPYFTYFPQDMBEF-UHFFFAOYSA-N
MW260.30 g/mol
LogP0.13
Rot. Bonds5

About 2-(3-amino-1,2,4-triazol-1-yl)-N-[(3-ethyl-2-pyridinyl)methyl]acetamide

2-(3-amino-1,2,4-triazol-1-yl)-N-[(3-ethyl-2-pyridinyl)methyl]acetamide (PubChem CID 82741688) has the molecular formula C12H16N6O and a molecular weight of 260.30 g/mol. Its IUPAC name is 2-(3-amino-1,2,4-triazol-1-yl)-N-[(3-ethyl-2-pyridinyl)methyl]acetamide.

Molecular Properties

Compound Name2-(3-amino-1,2,4-triazol-1-yl)-N-[(3-ethyl-2-pyridinyl)methyl]acetamide
PubChem CID82741688
Molecular FormulaC12H16N6O
Molecular Weight260.30 g/mol
Exact Mass260.14
IUPAC Name2-(3-amino-1,2,4-triazol-1-yl)-N-[(3-ethyl-2-pyridinyl)methyl]acetamide
SMILESCCc1cccnc1CNC(=O)Cn1cnc(N)n1
InChIInChI=1S/C12H16N6O/c1-2-9-4-3-5-14-10(9)6-15-11(19)7-18-8-16-12(13)17-18/h3-5,8H,2,6-7H2,1H3,(H2,13,17)(H,15,19)
InChIKeySPYFTYFPQDMBEF-UHFFFAOYSA-N
XLogP0.13
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(aminomethyl)triazol-1-yl]-N-[(3-ethyl-2-pyridinyl)methyl]acetamide
CID 82738334
3-amino-N-[(3-ethyl-2-pyridinyl)methyl]pyridine-2-carboxamide
CID 104742770
3-amino-N-[(3-ethyl-2-pyridinyl)methyl]butanamide
CID 82738689
2-(4-aminophenoxy)-N-[(3-ethyl-2-pyridinyl)methyl]acetamide
CID 82733539
2-(azetidin-3-yl)-N-[(3-ethyl-2-pyridinyl)methyl]acetamide
CID 82738136
2-(3-amino-1,2,4-triazol-1-yl)-N-(1H-pyrazol-5-ylmethyl)acetamide
CID 61284266
3-(3-aminophenyl)-N-[(3-ethyl-2-pyridinyl)methyl]propanamide
CID 82733558
2-hydroxyethyl N-[(3-ethyl-2-pyridinyl)methyl]carbamate
CID 82744779
2-(butan-2-ylamino)-N-[(3-ethyl-2-pyridinyl)methyl]acetamide
CID 82738513
2-(3-amino-1,2,4-triazol-1-yl)-N-[(2-methoxy-4-pyridinyl)methyl]acetamide
CID 62989300
2-(3-amino-1,2,4-triazol-1-yl)-N-[2-(dimethylcarbamoylamino)ethyl]acetamide
CID 83107218
tert-butyl 4-[(3-ethyl-2-pyridinyl)methylamino]-4-oxobutanoate
CID 106707645

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-N-[(3-ethyl-2-pyridinyl)methyl]acetamide?
The IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-N-[(3-ethyl-2-pyridinyl)methyl]acetamide (CID 82741688) is 2-(3-amino-1,2,4-triazol-1-yl)-N-[(3-ethyl-2-pyridinyl)methyl]acetamide.
What is the SMILES notation for 2-(3-amino-1,2,4-triazol-1-yl)-N-[(3-ethyl-2-pyridinyl)methyl]acetamide?
The canonical SMILES for 2-(3-amino-1,2,4-triazol-1-yl)-N-[(3-ethyl-2-pyridinyl)methyl]acetamide is CCc1cccnc1CNC(=O)Cn1cnc(N)n1.
What is the InChIKey of 2-(3-amino-1,2,4-triazol-1-yl)-N-[(3-ethyl-2-pyridinyl)methyl]acetamide?
The InChIKey is SPYFTYFPQDMBEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O/c1-2-9-4-3-5-14-10(9)6-15-11(19)7-18-8-16-12(13)17-18/h3-5,8H,2,6-7H2,1H3,(H2,13,17)(H,15,19).
What are the key properties of 2-(3-amino-1,2,4-triazol-1-yl)-N-[(3-ethyl-2-pyridinyl)methyl]acetamide?
2-(3-amino-1,2,4-triazol-1-yl)-N-[(3-ethyl-2-pyridinyl)methyl]acetamide has a molecular weight of 260.30 g/mol, XLogP of 0.13, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-1,2,4-triazol-1-yl)-N-[(3-ethyl-2-pyridinyl)methyl]acetamide is sourced from PubChem (CID 82741688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).