6-methyl-2-(3-piperidin-4-yl-1H-1,2,4-triazol-5-yl)-1,2,3,6-tetrahydropyrazin-5-amine

C12H21N7 — CID 123180509

IUPAC6-methyl-2-(3-piperidin-4-yl-1H-1,2,4-triazol-5-yl)-1,2,3,6-tetrahydropyrazin-5-amine
SMILESCC1NC(c2nc(C3CCNCC3)n[nH]2)CN=C1N
InChIInChI=1S/C12H21N7/c1-7-10(13)15-6-9(16-7)12-17-11(18-19-12)8-2-4-14-5-3-8/h7-9,14,16H,2-6H2,1H3,(H2,13,15)(H,17,18,19)
InChIKeyYJOPSDPPMWTMLF-UHFFFAOYSA-N
MW263.35 g/mol
LogP-0.34
Rot. Bonds2

About 6-methyl-2-(3-piperidin-4-yl-1H-1,2,4-triazol-5-yl)-1,2,3,6-tetrahydropyrazin-5-amine

6-methyl-2-(3-piperidin-4-yl-1H-1,2,4-triazol-5-yl)-1,2,3,6-tetrahydropyrazin-5-amine (PubChem CID 123180509) has the molecular formula C12H21N7 and a molecular weight of 263.35 g/mol. Its IUPAC name is 6-methyl-2-(3-piperidin-4-yl-1H-1,2,4-triazol-5-yl)-1,2,3,6-tetrahydropyrazin-5-amine.

Molecular Properties

Compound Name6-methyl-2-(3-piperidin-4-yl-1H-1,2,4-triazol-5-yl)-1,2,3,6-tetrahydropyrazin-5-amine
PubChem CID123180509
Molecular FormulaC12H21N7
Molecular Weight263.35 g/mol
Exact Mass263.19
IUPAC Name6-methyl-2-(3-piperidin-4-yl-1H-1,2,4-triazol-5-yl)-1,2,3,6-tetrahydropyrazin-5-amine
SMILESCC1NC(c2nc(C3CCNCC3)n[nH]2)CN=C1N
InChIInChI=1S/C12H21N7/c1-7-10(13)15-6-9(16-7)12-17-11(18-19-12)8-2-4-14-5-3-8/h7-9,14,16H,2-6H2,1H3,(H2,13,15)(H,17,18,19)
InChIKeyYJOPSDPPMWTMLF-UHFFFAOYSA-N
XLogP-0.34
TPSA104.01 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.35
LogP ≤ 5-0.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 6-methyl-2-(3-piperidin-4-yl-1H-1,2,4-triazol-5-yl)-1,2,3,6-tetrahydropyrazin-5-amine with MolForge

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Related Compounds

3-cyclobutyl-5-pyrrolidin-2-yl-1H-1,2,4-triazole
CID 84664294
5-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)pyrazolidin-3-amine
CID 77043285
4-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]piperidine
CID 82463437
2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
CID 66469339
3-cyclopropyl-5-(2,2-dimethylcyclopentyl)-1H-1,2,4-triazole
CID 107180038
2,4-dimethyl-6-piperidin-4-yl-1,3,5-triazine
CID 82468969
4,5,6-trimethyl-2-piperidin-4-ylpyrimidine
CID 63317217
3-piperidin-4-yl-1,2,4-thiadiazol-5-amine
CID 82406506
5-methyl-3-piperidin-4-yl-1H-pyrazol-4-amine
CID 165446837
3-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole
CID 102894902
4-[5-[(4-tert-butylphenyl)methyl]-1H-1,2,4-triazol-3-yl]piperidine
CID 82568364
4-[5-[(4-ethoxyphenoxy)methyl]-1H-1,2,4-triazol-3-yl]piperidine
CID 131927834

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(3-piperidin-4-yl-1H-1,2,4-triazol-5-yl)-1,2,3,6-tetrahydropyrazin-5-amine?
The IUPAC name of 6-methyl-2-(3-piperidin-4-yl-1H-1,2,4-triazol-5-yl)-1,2,3,6-tetrahydropyrazin-5-amine (CID 123180509) is 6-methyl-2-(3-piperidin-4-yl-1H-1,2,4-triazol-5-yl)-1,2,3,6-tetrahydropyrazin-5-amine.
What is the SMILES notation for 6-methyl-2-(3-piperidin-4-yl-1H-1,2,4-triazol-5-yl)-1,2,3,6-tetrahydropyrazin-5-amine?
The canonical SMILES for 6-methyl-2-(3-piperidin-4-yl-1H-1,2,4-triazol-5-yl)-1,2,3,6-tetrahydropyrazin-5-amine is CC1NC(c2nc(C3CCNCC3)n[nH]2)CN=C1N.
What is the InChIKey of 6-methyl-2-(3-piperidin-4-yl-1H-1,2,4-triazol-5-yl)-1,2,3,6-tetrahydropyrazin-5-amine?
The InChIKey is YJOPSDPPMWTMLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N7/c1-7-10(13)15-6-9(16-7)12-17-11(18-19-12)8-2-4-14-5-3-8/h7-9,14,16H,2-6H2,1H3,(H2,13,15)(H,17,18,19).
What are the key properties of 6-methyl-2-(3-piperidin-4-yl-1H-1,2,4-triazol-5-yl)-1,2,3,6-tetrahydropyrazin-5-amine?
6-methyl-2-(3-piperidin-4-yl-1H-1,2,4-triazol-5-yl)-1,2,3,6-tetrahydropyrazin-5-amine has a molecular weight of 263.35 g/mol, XLogP of -0.34, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(3-piperidin-4-yl-1H-1,2,4-triazol-5-yl)-1,2,3,6-tetrahydropyrazin-5-amine is sourced from PubChem (CID 123180509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).