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

C10H21ClN6 — CID 6603026

IUPAC1-methyl-4-[(1-propan-2-yltetrazol-5-yl)methyl]piperazine;hydrochloride
SMILESCC(C)n1nnnc1CN1CCN(C)CC1.Cl
InChIInChI=1S/C10H20N6.ClH/c1-9(2)16-10(11-12-13-16)8-15-6-4-14(3)5-7-15;/h9H,4-8H2,1-3H3;1H
InChIKeyOIQJZJMQVDKZLN-UHFFFAOYSA-N
MW260.77 g/mol
LogP0.42
Rot. Bonds3

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

1-methyl-4-[(1-propan-2-yltetrazol-5-yl)methyl]piperazine;hydrochloride (PubChem CID 6603026) has the molecular formula C10H21ClN6 and a molecular weight of 260.77 g/mol. Its IUPAC name is 1-methyl-4-[(1-propan-2-yltetrazol-5-yl)methyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-methyl-4-[(1-propan-2-yltetrazol-5-yl)methyl]piperazine;hydrochloride
PubChem CID6603026
Molecular FormulaC10H21ClN6
Molecular Weight260.77 g/mol
Exact Mass260.15
IUPAC Name1-methyl-4-[(1-propan-2-yltetrazol-5-yl)methyl]piperazine;hydrochloride
SMILESCC(C)n1nnnc1CN1CCN(C)CC1.Cl
InChIInChI=1S/C10H20N6.ClH/c1-9(2)16-10(11-12-13-16)8-15-6-4-14(3)5-7-15;/h9H,4-8H2,1-3H3;1H
InChIKeyOIQJZJMQVDKZLN-UHFFFAOYSA-N
XLogP0.42
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.77
LogP ≤ 50.42
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;hydrochloride?
The IUPAC name of 1-methyl-4-[(1-propan-2-yltetrazol-5-yl)methyl]piperazine;hydrochloride (CID 6603026) is 1-methyl-4-[(1-propan-2-yltetrazol-5-yl)methyl]piperazine;hydrochloride.
What is the SMILES notation for 1-methyl-4-[(1-propan-2-yltetrazol-5-yl)methyl]piperazine;hydrochloride?
The canonical SMILES for 1-methyl-4-[(1-propan-2-yltetrazol-5-yl)methyl]piperazine;hydrochloride is CC(C)n1nnnc1CN1CCN(C)CC1.Cl.
What is the InChIKey of 1-methyl-4-[(1-propan-2-yltetrazol-5-yl)methyl]piperazine;hydrochloride?
The InChIKey is OIQJZJMQVDKZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N6.ClH/c1-9(2)16-10(11-12-13-16)8-15-6-4-14(3)5-7-15;/h9H,4-8H2,1-3H3;1H.
What are the key properties of 1-methyl-4-[(1-propan-2-yltetrazol-5-yl)methyl]piperazine;hydrochloride?
1-methyl-4-[(1-propan-2-yltetrazol-5-yl)methyl]piperazine;hydrochloride has a molecular weight of 260.77 g/mol, XLogP of 0.42, 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;hydrochloride is sourced from PubChem (CID 6603026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).