2-methyl-5-(piperidin-4-ylmethyl)-1,2,4-triazol-3-amine

C9H17N5 — CID 104605510

IUPAC2-methyl-5-(piperidin-4-ylmethyl)-1,2,4-triazol-3-amine
SMILESCn1nc(CC2CCNCC2)nc1N
InChIInChI=1S/C9H17N5/c1-14-9(10)12-8(13-14)6-7-2-4-11-5-3-7/h7,11H,2-6H2,1H3,(H2,10,12,13)
InChIKeyCPCINCHWSTYFHO-UHFFFAOYSA-N
MW195.27 g/mol
LogP-0.06
Rot. Bonds2

About 2-methyl-5-(piperidin-4-ylmethyl)-1,2,4-triazol-3-amine

2-methyl-5-(piperidin-4-ylmethyl)-1,2,4-triazol-3-amine (PubChem CID 104605510) has the molecular formula C9H17N5 and a molecular weight of 195.27 g/mol. Its IUPAC name is 2-methyl-5-(piperidin-4-ylmethyl)-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name2-methyl-5-(piperidin-4-ylmethyl)-1,2,4-triazol-3-amine
PubChem CID104605510
Molecular FormulaC9H17N5
Molecular Weight195.27 g/mol
Exact Mass195.15
IUPAC Name2-methyl-5-(piperidin-4-ylmethyl)-1,2,4-triazol-3-amine
SMILESCn1nc(CC2CCNCC2)nc1N
InChIInChI=1S/C9H17N5/c1-14-9(10)12-8(13-14)6-7-2-4-11-5-3-7/h7,11H,2-6H2,1H3,(H2,10,12,13)
InChIKeyCPCINCHWSTYFHO-UHFFFAOYSA-N
XLogP-0.06
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-5-(thian-4-ylmethyl)-1,2,4-triazol-3-amine
CID 104605118
5-methyl-2-(piperidin-4-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 117155321
4-[(2,5-dimethyl-1,2,4-triazol-3-yl)methyl]azepane
CID 84676351
5-(4-ethylpiperidin-2-yl)-2-methyl-1,2,4-triazol-3-amine
CID 114431944
4-[(4,6-dimethylpyrimidin-2-yl)methyl]azepane
CID 84685067
1-methyl-3-(piperidin-4-ylmethyl)indazole
CID 84692872
4-[(3-ethylimidazol-4-yl)methyl]piperidine
CID 84665127
2,5-dimethyl-4-(piperidin-4-ylmethyl)-1,3-thiazole
CID 105464466
5-(ethoxymethyl)-2-methyl-1,2,4-triazol-3-amine
CID 104605270
5-ethyl-3-(piperidin-4-ylmethyl)-1,2,4-triazine
CID 105459668
1,5-dimethyl-3-(pyrrolidin-3-ylmethyl)pyrazole
CID 83482272
3-bromo-1-methyl-7-(piperidin-4-ylmethyl)indazole
CID 117493169

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(piperidin-4-ylmethyl)-1,2,4-triazol-3-amine?
The IUPAC name of 2-methyl-5-(piperidin-4-ylmethyl)-1,2,4-triazol-3-amine (CID 104605510) is 2-methyl-5-(piperidin-4-ylmethyl)-1,2,4-triazol-3-amine.
What is the SMILES notation for 2-methyl-5-(piperidin-4-ylmethyl)-1,2,4-triazol-3-amine?
The canonical SMILES for 2-methyl-5-(piperidin-4-ylmethyl)-1,2,4-triazol-3-amine is Cn1nc(CC2CCNCC2)nc1N.
What is the InChIKey of 2-methyl-5-(piperidin-4-ylmethyl)-1,2,4-triazol-3-amine?
The InChIKey is CPCINCHWSTYFHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5/c1-14-9(10)12-8(13-14)6-7-2-4-11-5-3-7/h7,11H,2-6H2,1H3,(H2,10,12,13).
What are the key properties of 2-methyl-5-(piperidin-4-ylmethyl)-1,2,4-triazol-3-amine?
2-methyl-5-(piperidin-4-ylmethyl)-1,2,4-triazol-3-amine has a molecular weight of 195.27 g/mol, XLogP of -0.06, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(piperidin-4-ylmethyl)-1,2,4-triazol-3-amine is sourced from PubChem (CID 104605510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).