N-(1-methyltetrazol-5-yl)piperidin-3-amine

C7H14N6 — CID 63320972

IUPACN-(1-methyltetrazol-5-yl)piperidin-3-amine
SMILESCn1nnnc1NC1CCCNC1
InChIInChI=1S/C7H14N6/c1-13-7(10-11-12-13)9-6-3-2-4-8-5-6/h6,8H,2-5H2,1H3,(H,9,10,12)
InChIKeyATFOVQXEQLLBCP-UHFFFAOYSA-N
MW182.23 g/mol
LogP-0.63
Rot. Bonds2

About N-(1-methyltetrazol-5-yl)piperidin-3-amine

N-(1-methyltetrazol-5-yl)piperidin-3-amine (PubChem CID 63320972) has the molecular formula C7H14N6 and a molecular weight of 182.23 g/mol. Its IUPAC name is N-(1-methyltetrazol-5-yl)piperidin-3-amine.

Molecular Properties

Compound NameN-(1-methyltetrazol-5-yl)piperidin-3-amine
PubChem CID63320972
Molecular FormulaC7H14N6
Molecular Weight182.23 g/mol
Exact Mass182.13
IUPAC NameN-(1-methyltetrazol-5-yl)piperidin-3-amine
SMILESCn1nnnc1NC1CCCNC1
InChIInChI=1S/C7H14N6/c1-13-7(10-11-12-13)9-6-3-2-4-8-5-6/h6,8H,2-5H2,1H3,(H,9,10,12)
InChIKeyATFOVQXEQLLBCP-UHFFFAOYSA-N
XLogP-0.63
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-methyltetrazol-5-yl)piperidin-3-amine?
The IUPAC name of N-(1-methyltetrazol-5-yl)piperidin-3-amine (CID 63320972) is N-(1-methyltetrazol-5-yl)piperidin-3-amine.
What is the SMILES notation for N-(1-methyltetrazol-5-yl)piperidin-3-amine?
The canonical SMILES for N-(1-methyltetrazol-5-yl)piperidin-3-amine is Cn1nnnc1NC1CCCNC1.
What is the InChIKey of N-(1-methyltetrazol-5-yl)piperidin-3-amine?
The InChIKey is ATFOVQXEQLLBCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N6/c1-13-7(10-11-12-13)9-6-3-2-4-8-5-6/h6,8H,2-5H2,1H3,(H,9,10,12).
What are the key properties of N-(1-methyltetrazol-5-yl)piperidin-3-amine?
N-(1-methyltetrazol-5-yl)piperidin-3-amine has a molecular weight of 182.23 g/mol, XLogP of -0.63, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyltetrazol-5-yl)piperidin-3-amine is sourced from PubChem (CID 63320972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).