4-(2-ethyl-5-methylpyrrolidin-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine

C12H18N8 — CID 83223656

IUPAC4-(2-ethyl-5-methylpyrrolidin-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
SMILESCCC1CCC(C)N1c1nc(N)nc(-n2cncn2)n1
InChIInChI=1S/C12H18N8/c1-3-9-5-4-8(2)20(9)12-17-10(13)16-11(18-12)19-7-14-6-15-19/h6-9H,3-5H2,1-2H3,(H2,13,16,17,18)
InChIKeySWUQAZMMDHGENI-UHFFFAOYSA-N
MW274.33 g/mol
LogP0.80
Rot. Bonds3

About 4-(2-ethyl-5-methylpyrrolidin-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine

4-(2-ethyl-5-methylpyrrolidin-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine (PubChem CID 83223656) has the molecular formula C12H18N8 and a molecular weight of 274.33 g/mol. Its IUPAC name is 4-(2-ethyl-5-methylpyrrolidin-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(2-ethyl-5-methylpyrrolidin-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
PubChem CID83223656
Molecular FormulaC12H18N8
Molecular Weight274.33 g/mol
Exact Mass274.17
IUPAC Name4-(2-ethyl-5-methylpyrrolidin-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
SMILESCCC1CCC(C)N1c1nc(N)nc(-n2cncn2)n1
InChIInChI=1S/C12H18N8/c1-3-9-5-4-8(2)20(9)12-17-10(13)16-11(18-12)19-7-14-6-15-19/h6-9H,3-5H2,1-2H3,(H2,13,16,17,18)
InChIKeySWUQAZMMDHGENI-UHFFFAOYSA-N
XLogP0.80
TPSA98.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-(2-ethyl-5-methylpyrrolidin-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine with MolForge

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Related Compounds

4-(4-ethoxypiperidin-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80776487
[4-(2-ethyl-5-methylpyrrolidin-1-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]hydrazine
CID 83171913
4-[4-(dimethylamino)piperidin-1-yl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80776233
4-N-methyl-4-N-propyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80774894
[1-[4-amino-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]piperidin-4-yl]methanol
CID 80757297
4-N-(cyclopropylmethyl)-4-N-propan-2-yl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80821216
4-N-methyl-4-N-(1-methylpiperidin-4-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80751432
1-[4-amino-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]pyrrolidin-3-ol
CID 80822938
2-N-(2-methylcyclopropyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80826675
2-chloro-4-(2-ethylpyrrolidin-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine
CID 62863885
4-propylsulfanyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80886795
4-propoxy-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80853858

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethyl-5-methylpyrrolidin-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-(2-ethyl-5-methylpyrrolidin-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine (CID 83223656) is 4-(2-ethyl-5-methylpyrrolidin-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(2-ethyl-5-methylpyrrolidin-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(2-ethyl-5-methylpyrrolidin-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine is CCC1CCC(C)N1c1nc(N)nc(-n2cncn2)n1.
What is the InChIKey of 4-(2-ethyl-5-methylpyrrolidin-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The InChIKey is SWUQAZMMDHGENI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N8/c1-3-9-5-4-8(2)20(9)12-17-10(13)16-11(18-12)19-7-14-6-15-19/h6-9H,3-5H2,1-2H3,(H2,13,16,17,18).
What are the key properties of 4-(2-ethyl-5-methylpyrrolidin-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
4-(2-ethyl-5-methylpyrrolidin-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine has a molecular weight of 274.33 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethyl-5-methylpyrrolidin-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 83223656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).