1-[3-(1,2-dimethyl-5-oxophenothiazin-10-yl)propyl]-1,2,4-triazol-3-amine

C19H21N5OS — CID 18334412

IUPAC1-[3-(1,2-dimethyl-5-oxophenothiazin-10-yl)propyl]-1,2,4-triazol-3-amine
SMILESCc1ccc2c(c1C)N(CCCn1cnc(N)n1)c1ccccc1S2=O
InChIInChI=1S/C19H21N5OS/c1-13-8-9-17-18(14(13)2)24(11-5-10-23-12-21-19(20)22-23)15-6-3-4-7-16(15)26(17)25/h3-4,6-9,12H,5,10-11H2,1-2H3,(H2,20,22)
InChIKeySNEUAGDLUMRTIQ-UHFFFAOYSA-N
MW367.48 g/mol
LogP3.19
Rot. Bonds4

About 1-[3-(1,2-dimethyl-5-oxophenothiazin-10-yl)propyl]-1,2,4-triazol-3-amine

1-[3-(1,2-dimethyl-5-oxophenothiazin-10-yl)propyl]-1,2,4-triazol-3-amine (PubChem CID 18334412) has the molecular formula C19H21N5OS and a molecular weight of 367.48 g/mol. Its IUPAC name is 1-[3-(1,2-dimethyl-5-oxophenothiazin-10-yl)propyl]-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name1-[3-(1,2-dimethyl-5-oxophenothiazin-10-yl)propyl]-1,2,4-triazol-3-amine
PubChem CID18334412
Molecular FormulaC19H21N5OS
Molecular Weight367.48 g/mol
Exact Mass367.15
IUPAC Name1-[3-(1,2-dimethyl-5-oxophenothiazin-10-yl)propyl]-1,2,4-triazol-3-amine
SMILESCc1ccc2c(c1C)N(CCCn1cnc(N)n1)c1ccccc1S2=O
InChIInChI=1S/C19H21N5OS/c1-13-8-9-17-18(14(13)2)24(11-5-10-23-12-21-19(20)22-23)15-6-3-4-7-16(15)26(17)25/h3-4,6-9,12H,5,10-11H2,1-2H3,(H2,20,22)
InChIKeySNEUAGDLUMRTIQ-UHFFFAOYSA-N
XLogP3.19
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.48
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(1,2-dimethyl-5-oxophenothiazin-10-yl)propyl]-1,2,4-triazol-3-amine?
The IUPAC name of 1-[3-(1,2-dimethyl-5-oxophenothiazin-10-yl)propyl]-1,2,4-triazol-3-amine (CID 18334412) is 1-[3-(1,2-dimethyl-5-oxophenothiazin-10-yl)propyl]-1,2,4-triazol-3-amine.
What is the SMILES notation for 1-[3-(1,2-dimethyl-5-oxophenothiazin-10-yl)propyl]-1,2,4-triazol-3-amine?
The canonical SMILES for 1-[3-(1,2-dimethyl-5-oxophenothiazin-10-yl)propyl]-1,2,4-triazol-3-amine is Cc1ccc2c(c1C)N(CCCn1cnc(N)n1)c1ccccc1S2=O.
What is the InChIKey of 1-[3-(1,2-dimethyl-5-oxophenothiazin-10-yl)propyl]-1,2,4-triazol-3-amine?
The InChIKey is SNEUAGDLUMRTIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5OS/c1-13-8-9-17-18(14(13)2)24(11-5-10-23-12-21-19(20)22-23)15-6-3-4-7-16(15)26(17)25/h3-4,6-9,12H,5,10-11H2,1-2H3,(H2,20,22).
What are the key properties of 1-[3-(1,2-dimethyl-5-oxophenothiazin-10-yl)propyl]-1,2,4-triazol-3-amine?
1-[3-(1,2-dimethyl-5-oxophenothiazin-10-yl)propyl]-1,2,4-triazol-3-amine has a molecular weight of 367.48 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1,2-dimethyl-5-oxophenothiazin-10-yl)propyl]-1,2,4-triazol-3-amine is sourced from PubChem (CID 18334412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).