1-methyl-4-[(1-propan-2-yltetrazol-5-yl)methyl]piperazine

C10H20N6 — CID 646557

IUPAC1-methyl-4-[(1-propan-2-yltetrazol-5-yl)methyl]piperazine
SMILESCC(C)n1nnnc1CN1CCN(C)CC1
InChIInChI=1S/C10H20N6/c1-9(2)16-10(11-12-13-16)8-15-6-4-14(3)5-7-15/h9H,4-8H2,1-3H3
InChIKeyHVDPYPBQKNDCCB-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.00
Rot. Bonds3

About 1-methyl-4-[(1-propan-2-yltetrazol-5-yl)methyl]piperazine

1-methyl-4-[(1-propan-2-yltetrazol-5-yl)methyl]piperazine (PubChem CID 646557) has the molecular formula C10H20N6 and a molecular weight of 224.31 g/mol. Its IUPAC name is 1-methyl-4-[(1-propan-2-yltetrazol-5-yl)methyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[(1-propan-2-yltetrazol-5-yl)methyl]piperazine
PubChem CID646557
Molecular FormulaC10H20N6
Molecular Weight224.31 g/mol
Exact Mass224.17
IUPAC Name1-methyl-4-[(1-propan-2-yltetrazol-5-yl)methyl]piperazine
SMILESCC(C)n1nnnc1CN1CCN(C)CC1
InChIInChI=1S/C10H20N6/c1-9(2)16-10(11-12-13-16)8-15-6-4-14(3)5-7-15/h9H,4-8H2,1-3H3
InChIKeyHVDPYPBQKNDCCB-UHFFFAOYSA-N
XLogP0.00
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(1-propan-2-yltetrazol-5-yl)methyl]piperazine?
The IUPAC name of 1-methyl-4-[(1-propan-2-yltetrazol-5-yl)methyl]piperazine (CID 646557) is 1-methyl-4-[(1-propan-2-yltetrazol-5-yl)methyl]piperazine.
What is the SMILES notation for 1-methyl-4-[(1-propan-2-yltetrazol-5-yl)methyl]piperazine?
The canonical SMILES for 1-methyl-4-[(1-propan-2-yltetrazol-5-yl)methyl]piperazine is CC(C)n1nnnc1CN1CCN(C)CC1.
What is the InChIKey of 1-methyl-4-[(1-propan-2-yltetrazol-5-yl)methyl]piperazine?
The InChIKey is HVDPYPBQKNDCCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N6/c1-9(2)16-10(11-12-13-16)8-15-6-4-14(3)5-7-15/h9H,4-8H2,1-3H3.
What are the key properties of 1-methyl-4-[(1-propan-2-yltetrazol-5-yl)methyl]piperazine?
1-methyl-4-[(1-propan-2-yltetrazol-5-yl)methyl]piperazine has a molecular weight of 224.31 g/mol, XLogP of 0.00, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(1-propan-2-yltetrazol-5-yl)methyl]piperazine is sourced from PubChem (CID 646557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).