N-(2-hydroxyethyl)-2-[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]acetamide

C13H15N5O2 — CID 129273900

IUPACN-(2-hydroxyethyl)-2-[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]acetamide
SMILESCc1nnc(-c2ccc(CC(=O)NCCO)cc2)nn1
InChIInChI=1S/C13H15N5O2/c1-9-15-17-13(18-16-9)11-4-2-10(3-5-11)8-12(20)14-6-7-19/h2-5,19H,6-8H2,1H3,(H,14,20)
InChIKeyULRORNUNQINGSD-UHFFFAOYSA-N
MW273.30 g/mol
LogP-0.11
Rot. Bonds5

About N-(2-hydroxyethyl)-2-[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]acetamide

N-(2-hydroxyethyl)-2-[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]acetamide (PubChem CID 129273900) has the molecular formula C13H15N5O2 and a molecular weight of 273.30 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]acetamide
PubChem CID129273900
Molecular FormulaC13H15N5O2
Molecular Weight273.30 g/mol
Exact Mass273.12
IUPAC NameN-(2-hydroxyethyl)-2-[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]acetamide
SMILESCc1nnc(-c2ccc(CC(=O)NCCO)cc2)nn1
InChIInChI=1S/C13H15N5O2/c1-9-15-17-13(18-16-9)11-4-2-10(3-5-11)8-12(20)14-6-7-19/h2-5,19H,6-8H2,1H3,(H,14,20)
InChIKeyULRORNUNQINGSD-UHFFFAOYSA-N
XLogP-0.11
TPSA100.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2-[2-[[2-[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]acetyl]amino]ethoxy]ethoxy]propanoic acid
CID 154936648
N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[2-[[2-[(2-aminoacetyl)amino]acetyl]amino]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]acetamide
CID 172653535
4-methyl-N-[[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methyl]benzamide
CID 167282073
2-methyl-N-[[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methyl]propanamide
CID 139307179
2-(4-acetamidophenyl)-N-(2-hydroxyethyl)acetamide
CID 11287807
N-(2-hydroxyethyl)-2-[4-[(2-methylphenyl)methoxy]phenyl]acetamide
CID 111112371
N-[2-[2-[2-[2-[3-[1,3-bis[3-[2-[2-[2-[2-[[2-[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]acetyl]amino]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]propan-2-ylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-formylbenzamide
CID 146673151
N-[2-(2-hydroxyethylamino)-2-oxoethyl]-4-methylbenzamide
CID 43389073
N-(2-hydroxyethyl)-2-(4-nitrophenyl)acetamide
CID 2054852
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-[[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methyl]propanamide
CID 138393281
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-[[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methyl]propanamide
CID 138454883
N-[[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methoxy]methanamine
CID 170855917

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]acetamide?
The IUPAC name of N-(2-hydroxyethyl)-2-[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]acetamide (CID 129273900) is N-(2-hydroxyethyl)-2-[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]acetamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]acetamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]acetamide is Cc1nnc(-c2ccc(CC(=O)NCCO)cc2)nn1.
What is the InChIKey of N-(2-hydroxyethyl)-2-[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]acetamide?
The InChIKey is ULRORNUNQINGSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2/c1-9-15-17-13(18-16-9)11-4-2-10(3-5-11)8-12(20)14-6-7-19/h2-5,19H,6-8H2,1H3,(H,14,20).
What are the key properties of N-(2-hydroxyethyl)-2-[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]acetamide?
N-(2-hydroxyethyl)-2-[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]acetamide has a molecular weight of 273.30 g/mol, XLogP of -0.11, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]acetamide is sourced from PubChem (CID 129273900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).