3-methyl-1-(1-methyltetrazol-5-yl)piperazine

C7H14N6 — CID 63152593

IUPAC3-methyl-1-(1-methyltetrazol-5-yl)piperazine
SMILESCC1CN(c2nnnn2C)CCN1
InChIInChI=1S/C7H14N6/c1-6-5-13(4-3-8-6)7-9-10-11-12(7)2/h6,8H,3-5H2,1-2H3
InChIKeyTXNKCTJXNDAWHJ-UHFFFAOYSA-N
MW182.23 g/mol
LogP-0.99
Rot. Bonds1

About 3-methyl-1-(1-methyltetrazol-5-yl)piperazine

3-methyl-1-(1-methyltetrazol-5-yl)piperazine (PubChem CID 63152593) has the molecular formula C7H14N6 and a molecular weight of 182.23 g/mol. Its IUPAC name is 3-methyl-1-(1-methyltetrazol-5-yl)piperazine.

Molecular Properties

Compound Name3-methyl-1-(1-methyltetrazol-5-yl)piperazine
PubChem CID63152593
Molecular FormulaC7H14N6
Molecular Weight182.23 g/mol
Exact Mass182.13
IUPAC Name3-methyl-1-(1-methyltetrazol-5-yl)piperazine
SMILESCC1CN(c2nnnn2C)CCN1
InChIInChI=1S/C7H14N6/c1-6-5-13(4-3-8-6)7-9-10-11-12(7)2/h6,8H,3-5H2,1-2H3
InChIKeyTXNKCTJXNDAWHJ-UHFFFAOYSA-N
XLogP-0.99
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 5-0.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-1-(1-tert-butyltetrazol-5-yl)-3-methylpiperazine
CID 59511255
3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)piperazine
CID 131162793
(4aS,7aS)-6-(1-methyltetrazol-5-yl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102683737
5-[3-(2-bromoethyl)pyrrolidin-1-yl]-1-methyltetrazole
CID 114800772
2-methyl-5-(3-methylpiperazin-1-yl)-1,3,4-thiadiazole
CID 65209428
4-(1-methyltetrazol-5-yl)morpholine-2-carbonitrile
CID 78950126
2-methyl-4,6-bis(3-methylpiperazin-1-yl)-1,3,5-triazine
CID 58012607
5-[(3S)-3-methylpiperazin-1-yl]tetrazolo[1,5-a]pyrazine
CID 104977511
methyl 1-(1-methyltetrazol-5-yl)pyrrolidine-3-carboxylate
CID 78949955
N-[[1-(1-methyltetrazol-5-yl)piperidin-3-yl]methyl]ethanamine
CID 63149812
2,4-dimethyl-6-[(3R)-3-methylpiperazin-1-yl]-1,2,4-triazine-3,5-dione
CID 104976116
1-(2-bromoethyl)-4-(1-methyltetrazol-5-yl)piperazine
CID 80673100

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(1-methyltetrazol-5-yl)piperazine?
The IUPAC name of 3-methyl-1-(1-methyltetrazol-5-yl)piperazine (CID 63152593) is 3-methyl-1-(1-methyltetrazol-5-yl)piperazine.
What is the SMILES notation for 3-methyl-1-(1-methyltetrazol-5-yl)piperazine?
The canonical SMILES for 3-methyl-1-(1-methyltetrazol-5-yl)piperazine is CC1CN(c2nnnn2C)CCN1.
What is the InChIKey of 3-methyl-1-(1-methyltetrazol-5-yl)piperazine?
The InChIKey is TXNKCTJXNDAWHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N6/c1-6-5-13(4-3-8-6)7-9-10-11-12(7)2/h6,8H,3-5H2,1-2H3.
What are the key properties of 3-methyl-1-(1-methyltetrazol-5-yl)piperazine?
3-methyl-1-(1-methyltetrazol-5-yl)piperazine has a molecular weight of 182.23 g/mol, XLogP of -0.99, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(1-methyltetrazol-5-yl)piperazine is sourced from PubChem (CID 63152593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).