2,6-dimethyl-1,4-bis[(2-methyl-1,2,4-triazol-3-yl)methyl]piperazine

C14H24N8 — CID 91652111

IUPAC2,6-dimethyl-1,4-bis[(2-methyl-1,2,4-triazol-3-yl)methyl]piperazine
SMILESCC1CN(Cc2ncnn2C)CC(C)N1Cc1ncnn1C
InChIInChI=1S/C14H24N8/c1-11-5-21(7-13-15-9-17-19(13)3)6-12(2)22(11)8-14-16-10-18-20(14)4/h9-12H,5-8H2,1-4H3
InChIKeyPKIGZNDOJPAPIR-UHFFFAOYSA-N
MW304.40 g/mol
LogP0.04
Rot. Bonds4

About 2,6-dimethyl-1,4-bis[(2-methyl-1,2,4-triazol-3-yl)methyl]piperazine

2,6-dimethyl-1,4-bis[(2-methyl-1,2,4-triazol-3-yl)methyl]piperazine (PubChem CID 91652111) has the molecular formula C14H24N8 and a molecular weight of 304.40 g/mol. Its IUPAC name is 2,6-dimethyl-1,4-bis[(2-methyl-1,2,4-triazol-3-yl)methyl]piperazine.

Molecular Properties

Compound Name2,6-dimethyl-1,4-bis[(2-methyl-1,2,4-triazol-3-yl)methyl]piperazine
PubChem CID91652111
Molecular FormulaC14H24N8
Molecular Weight304.40 g/mol
Exact Mass304.21
IUPAC Name2,6-dimethyl-1,4-bis[(2-methyl-1,2,4-triazol-3-yl)methyl]piperazine
SMILESCC1CN(Cc2ncnn2C)CC(C)N1Cc1ncnn1C
InChIInChI=1S/C14H24N8/c1-11-5-21(7-13-15-9-17-19(13)3)6-12(2)22(11)8-14-16-10-18-20(14)4/h9-12H,5-8H2,1-4H3
InChIKeyPKIGZNDOJPAPIR-UHFFFAOYSA-N
XLogP0.04
TPSA67.90 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 50.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

N,N-bis[(1-methyl-1,2,4-triazol-3-yl)methyl]propan-2-amine
CID 155563785
1-[(4-isopropyl-4H-1,2,4-triazol-3-yl)methyl]-4-(1H-1,2,4-triazol-3-yl)piperazine
CID 91837291
1-[(5-Methyl-4-propyl-1,2,4-triazol-3-yl)methyl]-1,2,4-triazole-3-carbonitrile
CID 132374907
4-Butyl-3-(4-butyl-1,2,4-triazol-3-yl)-1,2,4-triazole
CID 102167210
5-[(3-fluoropyrrolidin-1-yl)methyl]-1-methyl-1H-1,2,4-triazole
CID 171704112
1-Butyl-5-[[2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]methyl]tetrazole
CID 53585725
1-cyclohexyl-3-methyl-5-[2-(4-methyl-4H-1,2,4-triazol-3-yl)ethyl]-1H-1,2,4-triazole
CID 72867410
1-[(1-cyclohexyl-1H-1,2,4-triazol-5-yl)methyl]-5-methyl-1H-tetrazole
CID 72886682
1-methyl-4-[1-methyl-3-(1-methyl-1H-1,2,4-triazol-5-yl)propyl]piperazine
CID 72900544
N,N-dimethyl-1-(2-propyl-1,2,4-triazol-3-yl)methanamine
CID 23389285
5-Methyl-1-[5-(5-methyl-1,2,4-triazol-1-yl)pentyl]-1,2,4-triazole
CID 54349654
5-Methyl-1-[1-(5-methyl-1,2,4-triazol-1-yl)pentan-3-yl]-1,2,4-triazole
CID 57050467

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-1,4-bis[(2-methyl-1,2,4-triazol-3-yl)methyl]piperazine?
The IUPAC name of 2,6-dimethyl-1,4-bis[(2-methyl-1,2,4-triazol-3-yl)methyl]piperazine (CID 91652111) is 2,6-dimethyl-1,4-bis[(2-methyl-1,2,4-triazol-3-yl)methyl]piperazine.
What is the SMILES notation for 2,6-dimethyl-1,4-bis[(2-methyl-1,2,4-triazol-3-yl)methyl]piperazine?
The canonical SMILES for 2,6-dimethyl-1,4-bis[(2-methyl-1,2,4-triazol-3-yl)methyl]piperazine is CC1CN(Cc2ncnn2C)CC(C)N1Cc1ncnn1C.
What is the InChIKey of 2,6-dimethyl-1,4-bis[(2-methyl-1,2,4-triazol-3-yl)methyl]piperazine?
The InChIKey is PKIGZNDOJPAPIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N8/c1-11-5-21(7-13-15-9-17-19(13)3)6-12(2)22(11)8-14-16-10-18-20(14)4/h9-12H,5-8H2,1-4H3.
What are the key properties of 2,6-dimethyl-1,4-bis[(2-methyl-1,2,4-triazol-3-yl)methyl]piperazine?
2,6-dimethyl-1,4-bis[(2-methyl-1,2,4-triazol-3-yl)methyl]piperazine has a molecular weight of 304.40 g/mol, XLogP of 0.04, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-1,4-bis[(2-methyl-1,2,4-triazol-3-yl)methyl]piperazine is sourced from PubChem (CID 91652111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).