N-[3-[5-amino-4-(morpholine-4-carbonyl)triazol-1-yl]phenyl]-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide

C18H20N8O6S — CID 17039324

IUPACN-[3-[5-amino-4-(morpholine-4-carbonyl)triazol-1-yl]phenyl]-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide
SMILESCc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)Nc1cccc(-n2nnc(C(=O)N3CCOCC3)c2N)c1
InChIInChI=1S/C18H20N8O6S/c1-10-14(16(27)21-18(29)20-10)33(30,31)23-11-3-2-4-12(9-11)26-15(19)13(22-24-26)17(28)25-5-7-32-8-6-25/h2-4,9,23H,5-8,19H2,1H3,(H2,20,21,27,29)
InChIKeyYTRVPEHHPPXWNE-UHFFFAOYSA-N
MW476.48 g/mol
LogP-1.19
Rot. Bonds5

About N-[3-[5-amino-4-(morpholine-4-carbonyl)triazol-1-yl]phenyl]-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide

N-[3-[5-amino-4-(morpholine-4-carbonyl)triazol-1-yl]phenyl]-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide (PubChem CID 17039324) has the molecular formula C18H20N8O6S and a molecular weight of 476.48 g/mol. Its IUPAC name is N-[3-[5-amino-4-(morpholine-4-carbonyl)triazol-1-yl]phenyl]-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-[3-[5-amino-4-(morpholine-4-carbonyl)triazol-1-yl]phenyl]-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide
PubChem CID17039324
Molecular FormulaC18H20N8O6S
Molecular Weight476.48 g/mol
Exact Mass476.12
IUPAC NameN-[3-[5-amino-4-(morpholine-4-carbonyl)triazol-1-yl]phenyl]-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide
SMILESCc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)Nc1cccc(-n2nnc(C(=O)N3CCOCC3)c2N)c1
InChIInChI=1S/C18H20N8O6S/c1-10-14(16(27)21-18(29)20-10)33(30,31)23-11-3-2-4-12(9-11)26-15(19)13(22-24-26)17(28)25-5-7-32-8-6-25/h2-4,9,23H,5-8,19H2,1H3,(H2,20,21,27,29)
InChIKeyYTRVPEHHPPXWNE-UHFFFAOYSA-N
XLogP-1.19
TPSA198.16 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.48
LogP ≤ 5-1.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

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Related Compounds

N-[3-[5-amino-4-(morpholine-4-carbonyl)triazol-1-yl]phenyl]-4-methoxybenzenesulfonamide
CID 17039323
[5-amino-1-(3-methylsulfanylphenyl)triazol-4-yl]-morpholin-4-ylmethanone
CID 6498420
N-[3-[5-amino-4-(morpholine-4-carbonyl)triazol-1-yl]phenyl]furan-2-carboxamide
CID 43819269
N-[4-[5-amino-4-(morpholine-4-carbonyl)triazol-1-yl]phenyl]-4-methoxybenzenesulfonamide
CID 17039305
N-[3-(5-methyltetrazol-1-yl)phenyl]-4-morpholin-4-ylsulfonylbenzenesulfonamide
CID 55663261
N-[3-(5-methyltetrazol-1-yl)phenyl]-4-morpholin-4-ylsulfonylpiperazine-1-carboxamide
CID 55698120
5-methyl-N-[3-(morpholine-4-carbonyl)phenyl]-1-(3-nitrophenyl)triazole-4-carboxamide
CID 55797238
[3-(5-methyltetrazol-1-yl)phenyl]-morpholin-4-ylmethanone
CID 56763218
2,5-dimethyl-N-[3-(morpholine-4-carbonyl)phenyl]benzenesulfonamide
CID 30684576
3-(methanesulfonamido)-2,4-dimethyl-N-[3-(morpholine-4-carbonyl)phenyl]benzenesulfonamide
CID 5301690
methyl 5-amino-1-(3-methylphenyl)triazole-4-carboxylate
CID 4912897
N-(2-methyl-4-pyridinyl)-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 110677176

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-amino-4-(morpholine-4-carbonyl)triazol-1-yl]phenyl]-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
The IUPAC name of N-[3-[5-amino-4-(morpholine-4-carbonyl)triazol-1-yl]phenyl]-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide (CID 17039324) is N-[3-[5-amino-4-(morpholine-4-carbonyl)triazol-1-yl]phenyl]-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide.
What is the SMILES notation for N-[3-[5-amino-4-(morpholine-4-carbonyl)triazol-1-yl]phenyl]-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
The canonical SMILES for N-[3-[5-amino-4-(morpholine-4-carbonyl)triazol-1-yl]phenyl]-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide is Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)Nc1cccc(-n2nnc(C(=O)N3CCOCC3)c2N)c1.
What is the InChIKey of N-[3-[5-amino-4-(morpholine-4-carbonyl)triazol-1-yl]phenyl]-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
The InChIKey is YTRVPEHHPPXWNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N8O6S/c1-10-14(16(27)21-18(29)20-10)33(30,31)23-11-3-2-4-12(9-11)26-15(19)13(22-24-26)17(28)25-5-7-32-8-6-25/h2-4,9,23H,5-8,19H2,1H3,(H2,20,21,27,29).
What are the key properties of N-[3-[5-amino-4-(morpholine-4-carbonyl)triazol-1-yl]phenyl]-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
N-[3-[5-amino-4-(morpholine-4-carbonyl)triazol-1-yl]phenyl]-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide has a molecular weight of 476.48 g/mol, XLogP of -1.19, 5 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-amino-4-(morpholine-4-carbonyl)triazol-1-yl]phenyl]-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide is sourced from PubChem (CID 17039324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).