4-methyl-5-[[4-(2-methylpropyl)morpholin-2-yl]methylsulfanyl]-1,2,4-triazol-3-amine

C12H23N5OS — CID 61468544

IUPAC4-methyl-5-[[4-(2-methylpropyl)morpholin-2-yl]methylsulfanyl]-1,2,4-triazol-3-amine
SMILESCC(C)CN1CCOC(CSc2nnc(N)n2C)C1
InChIInChI=1S/C12H23N5OS/c1-9(2)6-17-4-5-18-10(7-17)8-19-12-15-14-11(13)16(12)3/h9-10H,4-8H2,1-3H3,(H2,13,14)
InChIKeyFTQGIDJFQAVPLA-UHFFFAOYSA-N
MW285.42 g/mol
LogP0.85
Rot. Bonds5

About 4-methyl-5-[[4-(2-methylpropyl)morpholin-2-yl]methylsulfanyl]-1,2,4-triazol-3-amine

4-methyl-5-[[4-(2-methylpropyl)morpholin-2-yl]methylsulfanyl]-1,2,4-triazol-3-amine (PubChem CID 61468544) has the molecular formula C12H23N5OS and a molecular weight of 285.42 g/mol. Its IUPAC name is 4-methyl-5-[[4-(2-methylpropyl)morpholin-2-yl]methylsulfanyl]-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name4-methyl-5-[[4-(2-methylpropyl)morpholin-2-yl]methylsulfanyl]-1,2,4-triazol-3-amine
PubChem CID61468544
Molecular FormulaC12H23N5OS
Molecular Weight285.42 g/mol
Exact Mass285.16
IUPAC Name4-methyl-5-[[4-(2-methylpropyl)morpholin-2-yl]methylsulfanyl]-1,2,4-triazol-3-amine
SMILESCC(C)CN1CCOC(CSc2nnc(N)n2C)C1
InChIInChI=1S/C12H23N5OS/c1-9(2)6-17-4-5-18-10(7-17)8-19-12-15-14-11(13)16(12)3/h9-10H,4-8H2,1-3H3,(H2,13,14)
InChIKeyFTQGIDJFQAVPLA-UHFFFAOYSA-N
XLogP0.85
TPSA69.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.42
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-methyl-5-[[4-(2-methylpropyl)morpholin-2-yl]methylsulfanyl]-1,2,4-triazol-3-amine with MolForge

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Related Compounds

4-methyl-3-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methylsulfanyl]-1H-1,2,4-triazol-5-one
CID 9377017
[5-[(4-ethylmorpholin-2-yl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methanamine
CID 79172247
2-methyl-6-[[4-(2-methylpropyl)morpholin-2-yl]methylsulfanyl]aniline
CID 79146285
4-propan-2-yl-5-[(4-propan-2-ylmorpholin-2-yl)methylsulfanyl]-1,2,4-triazol-3-amine
CID 64534933
2-[[4-(2-methylpropyl)morpholin-2-yl]methylsulfanyl]propan-1-amine
CID 66218624
4-[[4-(2-methylpropyl)morpholin-2-yl]methylsulfanyl]phenol
CID 54911442
[4-[[4-(2-methylpropyl)morpholin-2-yl]methyl]morpholin-2-yl]methanamine
CID 114398613
(2S)-2-(3-methylbutyl)-4-(2-methylpropyl)morpholine
CID 161175783
4-methyl-5-(2-methylpropylsulfanyl)-1,2,4-triazol-3-amine
CID 55136786
3-[[4-(2-methylpropyl)morpholin-2-yl]methylsulfanyl]propan-1-ol
CID 66115449
2-(azetidin-3-ylmethylsulfanylmethyl)-4-(2-methylpropyl)morpholine
CID 66290127
(2R)-4-[(2-chlorophenyl)methyl]-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]morpholine
CID 9373218

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[[4-(2-methylpropyl)morpholin-2-yl]methylsulfanyl]-1,2,4-triazol-3-amine?
The IUPAC name of 4-methyl-5-[[4-(2-methylpropyl)morpholin-2-yl]methylsulfanyl]-1,2,4-triazol-3-amine (CID 61468544) is 4-methyl-5-[[4-(2-methylpropyl)morpholin-2-yl]methylsulfanyl]-1,2,4-triazol-3-amine.
What is the SMILES notation for 4-methyl-5-[[4-(2-methylpropyl)morpholin-2-yl]methylsulfanyl]-1,2,4-triazol-3-amine?
The canonical SMILES for 4-methyl-5-[[4-(2-methylpropyl)morpholin-2-yl]methylsulfanyl]-1,2,4-triazol-3-amine is CC(C)CN1CCOC(CSc2nnc(N)n2C)C1.
What is the InChIKey of 4-methyl-5-[[4-(2-methylpropyl)morpholin-2-yl]methylsulfanyl]-1,2,4-triazol-3-amine?
The InChIKey is FTQGIDJFQAVPLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5OS/c1-9(2)6-17-4-5-18-10(7-17)8-19-12-15-14-11(13)16(12)3/h9-10H,4-8H2,1-3H3,(H2,13,14).
What are the key properties of 4-methyl-5-[[4-(2-methylpropyl)morpholin-2-yl]methylsulfanyl]-1,2,4-triazol-3-amine?
4-methyl-5-[[4-(2-methylpropyl)morpholin-2-yl]methylsulfanyl]-1,2,4-triazol-3-amine has a molecular weight of 285.42 g/mol, XLogP of 0.85, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[[4-(2-methylpropyl)morpholin-2-yl]methylsulfanyl]-1,2,4-triazol-3-amine is sourced from PubChem (CID 61468544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).