N-[4-(diethylamino)phenyl]-3,5-dioxo-2H-1,2,4-triazine-6-carboxamide

C14H17N5O3 — CID 110702097

IUPACN-[4-(diethylamino)phenyl]-3,5-dioxo-2H-1,2,4-triazine-6-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2n[nH]c(=O)[nH]c2=O)cc1
InChIInChI=1S/C14H17N5O3/c1-3-19(4-2)10-7-5-9(6-8-10)15-12(20)11-13(21)16-14(22)18-17-11/h5-8H,3-4H2,1-2H3,(H,15,20)(H2,16,18,21,22)
InChIKeyHQOXWQBHWSWLJN-UHFFFAOYSA-N
MW303.32 g/mol
LogP0.56
Rot. Bonds5

About N-[4-(diethylamino)phenyl]-3,5-dioxo-2H-1,2,4-triazine-6-carboxamide

N-[4-(diethylamino)phenyl]-3,5-dioxo-2H-1,2,4-triazine-6-carboxamide (PubChem CID 110702097) has the molecular formula C14H17N5O3 and a molecular weight of 303.32 g/mol. Its IUPAC name is N-[4-(diethylamino)phenyl]-3,5-dioxo-2H-1,2,4-triazine-6-carboxamide.

Molecular Properties

Compound NameN-[4-(diethylamino)phenyl]-3,5-dioxo-2H-1,2,4-triazine-6-carboxamide
PubChem CID110702097
Molecular FormulaC14H17N5O3
Molecular Weight303.32 g/mol
Exact Mass303.13
IUPAC NameN-[4-(diethylamino)phenyl]-3,5-dioxo-2H-1,2,4-triazine-6-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2n[nH]c(=O)[nH]c2=O)cc1
InChIInChI=1S/C14H17N5O3/c1-3-19(4-2)10-7-5-9(6-8-10)15-12(20)11-13(21)16-14(22)18-17-11/h5-8H,3-4H2,1-2H3,(H,15,20)(H2,16,18,21,22)
InChIKeyHQOXWQBHWSWLJN-UHFFFAOYSA-N
XLogP0.56
TPSA110.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-bromo-N-[4-(diethylamino)phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56560029
N-(3,5-dimethylphenyl)-3,5-dioxo-2H-1,2,4-triazine-6-carboxamide
CID 110702050
N-[4-(diethylamino)phenyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 55910471
N-[4-(diethylamino)phenyl]-N'-(4-fluorophenyl)oxamide
CID 108512632
2-N,6-N-bis[4-(diethylamino)phenyl]pyridine-2,6-dicarboxamide
CID 1019302
N-[4-(diethylamino)phenyl]-2H-benzotriazole-5-carboxamide
CID 17460824
3-bromo-N-[4-(diethylamino)phenyl]pyridine-2-carboxamide
CID 107518027
4-chloro-N-[4-(diethylamino)phenyl]-1H-pyrazole-5-carboxamide
CID 17026834
2-[[4-(diethylamino)phenyl]carbamoyl]benzoic acid
CID 730395
N-[[4-(diethylamino)phenyl]methylideneamino]-2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]acetamide
CID 1181956
N-[4-(diethylamino)phenyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19508699
[4-(diethylamino)phenyl]urea;hydrochloride
CID 140506859

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)phenyl]-3,5-dioxo-2H-1,2,4-triazine-6-carboxamide?
The IUPAC name of N-[4-(diethylamino)phenyl]-3,5-dioxo-2H-1,2,4-triazine-6-carboxamide (CID 110702097) is N-[4-(diethylamino)phenyl]-3,5-dioxo-2H-1,2,4-triazine-6-carboxamide.
What is the SMILES notation for N-[4-(diethylamino)phenyl]-3,5-dioxo-2H-1,2,4-triazine-6-carboxamide?
The canonical SMILES for N-[4-(diethylamino)phenyl]-3,5-dioxo-2H-1,2,4-triazine-6-carboxamide is CCN(CC)c1ccc(NC(=O)c2n[nH]c(=O)[nH]c2=O)cc1.
What is the InChIKey of N-[4-(diethylamino)phenyl]-3,5-dioxo-2H-1,2,4-triazine-6-carboxamide?
The InChIKey is HQOXWQBHWSWLJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O3/c1-3-19(4-2)10-7-5-9(6-8-10)15-12(20)11-13(21)16-14(22)18-17-11/h5-8H,3-4H2,1-2H3,(H,15,20)(H2,16,18,21,22).
What are the key properties of N-[4-(diethylamino)phenyl]-3,5-dioxo-2H-1,2,4-triazine-6-carboxamide?
N-[4-(diethylamino)phenyl]-3,5-dioxo-2H-1,2,4-triazine-6-carboxamide has a molecular weight of 303.32 g/mol, XLogP of 0.56, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)phenyl]-3,5-dioxo-2H-1,2,4-triazine-6-carboxamide is sourced from PubChem (CID 110702097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).