1-[(1-methylpiperidin-3-yl)methyl]-4-(1H-1,2,4-triazol-5-yl)piperazine

C13H24N6 — CID 118768793

IUPAC1-[(1-methylpiperidin-3-yl)methyl]-4-(1H-1,2,4-triazol-5-yl)piperazine
SMILESCN1CCCC(CN2CCN(c3ncn[nH]3)CC2)C1
InChIInChI=1S/C13H24N6/c1-17-4-2-3-12(9-17)10-18-5-7-19(8-6-18)13-14-11-15-16-13/h11-12H,2-10H2,1H3,(H,14,15,16)
InChIKeyYZSGZYFUHVNGSS-UHFFFAOYSA-N
MW264.38 g/mol
LogP0.27
Rot. Bonds3

About 1-[(1-methylpiperidin-3-yl)methyl]-4-(1H-1,2,4-triazol-5-yl)piperazine

1-[(1-methylpiperidin-3-yl)methyl]-4-(1H-1,2,4-triazol-5-yl)piperazine (PubChem CID 118768793) has the molecular formula C13H24N6 and a molecular weight of 264.38 g/mol. Its IUPAC name is 1-[(1-methylpiperidin-3-yl)methyl]-4-(1H-1,2,4-triazol-5-yl)piperazine.

Molecular Properties

Compound Name1-[(1-methylpiperidin-3-yl)methyl]-4-(1H-1,2,4-triazol-5-yl)piperazine
PubChem CID118768793
Molecular FormulaC13H24N6
Molecular Weight264.38 g/mol
Exact Mass264.21
IUPAC Name1-[(1-methylpiperidin-3-yl)methyl]-4-(1H-1,2,4-triazol-5-yl)piperazine
SMILESCN1CCCC(CN2CCN(c3ncn[nH]3)CC2)C1
InChIInChI=1S/C13H24N6/c1-17-4-2-3-12(9-17)10-18-5-7-19(8-6-18)13-14-11-15-16-13/h11-12H,2-10H2,1H3,(H,14,15,16)
InChIKeyYZSGZYFUHVNGSS-UHFFFAOYSA-N
XLogP0.27
TPSA51.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.38
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(1-isopropylpyrrolidin-3-yl)methyl]-4-(1H-1,2,4-triazol-3-yl)piperazine
CID 118788961
1-[1-(1H-1,2,4-triazol-5-yl)piperidin-4-yl]methanamine
CID 102800781
2,4-dimethyl-1-(1H-1,2,4-triazol-5-yl)piperidine
CID 141069111
1-[(1-ethylpiperidin-3-yl)methyl]-4-[2-(1H-1,2,4-triazol-1-yl)ethyl]piperazine
CID 77091044
4-(3-Methylpiperidin-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80764951
4-(3,5-Dimethylpiperidin-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80767051
[4-(3-Ethylpiperidin-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]hydrazine
CID 80898509
[4-(4-Ethylpiperidin-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]hydrazine
CID 80900007
[4-(3,3-Dimethylpiperidin-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]hydrazine
CID 80906400
[4-(3,5-Dimethylpiperidin-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]hydrazine
CID 80912010
[4-(2,5-Dimethylpiperidin-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]hydrazine
CID 80924351
[4-(4-Methylpiperidin-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]hydrazine
CID 80927607

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylpiperidin-3-yl)methyl]-4-(1H-1,2,4-triazol-5-yl)piperazine?
The IUPAC name of 1-[(1-methylpiperidin-3-yl)methyl]-4-(1H-1,2,4-triazol-5-yl)piperazine (CID 118768793) is 1-[(1-methylpiperidin-3-yl)methyl]-4-(1H-1,2,4-triazol-5-yl)piperazine.
What is the SMILES notation for 1-[(1-methylpiperidin-3-yl)methyl]-4-(1H-1,2,4-triazol-5-yl)piperazine?
The canonical SMILES for 1-[(1-methylpiperidin-3-yl)methyl]-4-(1H-1,2,4-triazol-5-yl)piperazine is CN1CCCC(CN2CCN(c3ncn[nH]3)CC2)C1.
What is the InChIKey of 1-[(1-methylpiperidin-3-yl)methyl]-4-(1H-1,2,4-triazol-5-yl)piperazine?
The InChIKey is YZSGZYFUHVNGSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N6/c1-17-4-2-3-12(9-17)10-18-5-7-19(8-6-18)13-14-11-15-16-13/h11-12H,2-10H2,1H3,(H,14,15,16).
What are the key properties of 1-[(1-methylpiperidin-3-yl)methyl]-4-(1H-1,2,4-triazol-5-yl)piperazine?
1-[(1-methylpiperidin-3-yl)methyl]-4-(1H-1,2,4-triazol-5-yl)piperazine has a molecular weight of 264.38 g/mol, XLogP of 0.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylpiperidin-3-yl)methyl]-4-(1H-1,2,4-triazol-5-yl)piperazine is sourced from PubChem (CID 118768793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).