2-(3-amino-1H-1,2,4-triazol-5-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

C14H17N5O — CID 166390604

IUPAC2-(3-amino-1H-1,2,4-triazol-5-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
SMILESNc1n[nH]c(CC(=O)NC2CCCc3ccccc32)n1
InChIInChI=1S/C14H17N5O/c15-14-17-12(18-19-14)8-13(20)16-11-7-3-5-9-4-1-2-6-10(9)11/h1-2,4,6,11H,3,5,7-8H2,(H,16,20)(H3,15,17,18,19)
InChIKeyYLJLCNHGWCLOSW-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.12
Rot. Bonds3

About 2-(3-amino-1H-1,2,4-triazol-5-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

2-(3-amino-1H-1,2,4-triazol-5-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide (PubChem CID 166390604) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-(3-amino-1H-1,2,4-triazol-5-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide.

Molecular Properties

Compound Name2-(3-amino-1H-1,2,4-triazol-5-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
PubChem CID166390604
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC Name2-(3-amino-1H-1,2,4-triazol-5-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
SMILESNc1n[nH]c(CC(=O)NC2CCCc3ccccc32)n1
InChIInChI=1S/C14H17N5O/c15-14-17-12(18-19-14)8-13(20)16-11-7-3-5-9-4-1-2-6-10(9)11/h1-2,4,6,11H,3,5,7-8H2,(H,16,20)(H3,15,17,18,19)
InChIKeyYLJLCNHGWCLOSW-UHFFFAOYSA-N
XLogP1.12
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 4058851
2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 7415664
2-(3-aminophenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 62499039
2-(2-fluorophenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2406192
3-bromo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 69220088
[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 4-aminobenzoate
CID 7780986
2-[4-(aminomethyl)phenyl]-N-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]acetamide
CID 166276896
[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 2-naphthalen-1-ylacetate
CID 2625137
2-[4-(4-amino-1H-pyrazol-5-yl)piperidin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 167871087
[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] 2-cyclopentylacetate
CID 23848552
N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl fluoride
CID 90147743
N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-thiophen-3-ylacetamide
CID 7688469

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-1H-1,2,4-triazol-5-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The IUPAC name of 2-(3-amino-1H-1,2,4-triazol-5-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide (CID 166390604) is 2-(3-amino-1H-1,2,4-triazol-5-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide.
What is the SMILES notation for 2-(3-amino-1H-1,2,4-triazol-5-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The canonical SMILES for 2-(3-amino-1H-1,2,4-triazol-5-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide is Nc1n[nH]c(CC(=O)NC2CCCc3ccccc32)n1.
What is the InChIKey of 2-(3-amino-1H-1,2,4-triazol-5-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The InChIKey is YLJLCNHGWCLOSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c15-14-17-12(18-19-14)8-13(20)16-11-7-3-5-9-4-1-2-6-10(9)11/h1-2,4,6,11H,3,5,7-8H2,(H,16,20)(H3,15,17,18,19).
What are the key properties of 2-(3-amino-1H-1,2,4-triazol-5-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
2-(3-amino-1H-1,2,4-triazol-5-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide has a molecular weight of 271.32 g/mol, XLogP of 1.12, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-1H-1,2,4-triazol-5-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide is sourced from PubChem (CID 166390604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).