3-methyl-1-[(1-phenyltriazol-4-yl)methyl]piperazine

C14H19N5 — CID 119924639

IUPAC3-methyl-1-[(1-phenyltriazol-4-yl)methyl]piperazine
SMILESCC1CN(Cc2cn(-c3ccccc3)nn2)CCN1
InChIInChI=1S/C14H19N5/c1-12-9-18(8-7-15-12)10-13-11-19(17-16-13)14-5-3-2-4-6-14/h2-6,11-12,15H,7-10H2,1H3
InChIKeySMGRBPKABLXOSG-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.06
Rot. Bonds3

About 3-methyl-1-[(1-phenyltriazol-4-yl)methyl]piperazine

3-methyl-1-[(1-phenyltriazol-4-yl)methyl]piperazine (PubChem CID 119924639) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is 3-methyl-1-[(1-phenyltriazol-4-yl)methyl]piperazine.

Molecular Properties

Compound Name3-methyl-1-[(1-phenyltriazol-4-yl)methyl]piperazine
PubChem CID119924639
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC Name3-methyl-1-[(1-phenyltriazol-4-yl)methyl]piperazine
SMILESCC1CN(Cc2cn(-c3ccccc3)nn2)CCN1
InChIInChI=1S/C14H19N5/c1-12-9-18(8-7-15-12)10-13-11-19(17-16-13)14-5-3-2-4-6-14/h2-6,11-12,15H,7-10H2,1H3
InChIKeySMGRBPKABLXOSG-UHFFFAOYSA-N
XLogP1.06
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-3-methyl-1-[(1-methyltriazol-4-yl)methyl]piperazine
CID 103885719
(3R)-3-methyl-1-[(1-methyltriazol-4-yl)methyl]piperazine
CID 103885940
(3S)-1-[(1-tert-butyltriazol-4-yl)methyl]-3-methylpiperazine;hydrochloride
CID 120845822
(2R)-1-[(2R)-2-methyl-4-[(1-phenyltriazol-4-yl)methyl]piperazin-1-yl]propan-2-ol
CID 95602343
(2R)-1-[(2S)-2-methyl-4-[(1-phenyltriazol-4-yl)methyl]piperazin-1-yl]propan-2-ol
CID 95602344
(3S)-1-benzyl-3-methylpiperazine;hydrochloride
CID 52982949
1-benzyl-3-methylpiperazine;ethane
CID 166543639
3-methyl-1-(pyridin-2-ylmethyl)piperazine;hydrochloride
CID 71639374
3-chloro-6-[[(3S)-3-methylpiperazin-1-yl]methyl]pyridazine
CID 97163264
3-methyl-1-[(1-methyltriazol-4-yl)methyl]-1,4-diazepane
CID 107056206
2-[[(3R)-3-methylpiperazin-1-yl]methyl]quinoline
CID 113345872
4-[[(3S)-3-methylpiperazin-1-yl]methyl]-2-phenyl-1,3-thiazole
CID 103885656

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(1-phenyltriazol-4-yl)methyl]piperazine?
The IUPAC name of 3-methyl-1-[(1-phenyltriazol-4-yl)methyl]piperazine (CID 119924639) is 3-methyl-1-[(1-phenyltriazol-4-yl)methyl]piperazine.
What is the SMILES notation for 3-methyl-1-[(1-phenyltriazol-4-yl)methyl]piperazine?
The canonical SMILES for 3-methyl-1-[(1-phenyltriazol-4-yl)methyl]piperazine is CC1CN(Cc2cn(-c3ccccc3)nn2)CCN1.
What is the InChIKey of 3-methyl-1-[(1-phenyltriazol-4-yl)methyl]piperazine?
The InChIKey is SMGRBPKABLXOSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5/c1-12-9-18(8-7-15-12)10-13-11-19(17-16-13)14-5-3-2-4-6-14/h2-6,11-12,15H,7-10H2,1H3.
What are the key properties of 3-methyl-1-[(1-phenyltriazol-4-yl)methyl]piperazine?
3-methyl-1-[(1-phenyltriazol-4-yl)methyl]piperazine has a molecular weight of 257.34 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(1-phenyltriazol-4-yl)methyl]piperazine is sourced from PubChem (CID 119924639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).