N-(3-methylpentan-3-yl)-2H-tetrazol-5-amine

C7H15N5 — CID 164660637

IUPACN-(3-methylpentan-3-yl)-2H-tetrazol-5-amine
SMILESCCC(C)(CC)Nc1nn[nH]n1
InChIInChI=1S/C7H15N5/c1-4-7(3,5-2)8-6-9-11-12-10-6/h4-5H2,1-3H3,(H2,8,9,10,11,12)
InChIKeyLUPFXMVMMGEZHF-UHFFFAOYSA-N
MW169.23 g/mol
LogP1.19
Rot. Bonds4

About N-(3-methylpentan-3-yl)-2H-tetrazol-5-amine

N-(3-methylpentan-3-yl)-2H-tetrazol-5-amine (PubChem CID 164660637) has the molecular formula C7H15N5 and a molecular weight of 169.23 g/mol. Its IUPAC name is N-(3-methylpentan-3-yl)-2H-tetrazol-5-amine.

Molecular Properties

Compound NameN-(3-methylpentan-3-yl)-2H-tetrazol-5-amine
PubChem CID164660637
Molecular FormulaC7H15N5
Molecular Weight169.23 g/mol
Exact Mass169.13
IUPAC NameN-(3-methylpentan-3-yl)-2H-tetrazol-5-amine
SMILESCCC(C)(CC)Nc1nn[nH]n1
InChIInChI=1S/C7H15N5/c1-4-7(3,5-2)8-6-9-11-12-10-6/h4-5H2,1-3H3,(H2,8,9,10,11,12)
InChIKeyLUPFXMVMMGEZHF-UHFFFAOYSA-N
XLogP1.19
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylpentan-3-yl)-2H-tetrazol-5-amine?
The IUPAC name of N-(3-methylpentan-3-yl)-2H-tetrazol-5-amine (CID 164660637) is N-(3-methylpentan-3-yl)-2H-tetrazol-5-amine.
What is the SMILES notation for N-(3-methylpentan-3-yl)-2H-tetrazol-5-amine?
The canonical SMILES for N-(3-methylpentan-3-yl)-2H-tetrazol-5-amine is CCC(C)(CC)Nc1nn[nH]n1.
What is the InChIKey of N-(3-methylpentan-3-yl)-2H-tetrazol-5-amine?
The InChIKey is LUPFXMVMMGEZHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N5/c1-4-7(3,5-2)8-6-9-11-12-10-6/h4-5H2,1-3H3,(H2,8,9,10,11,12).
What are the key properties of N-(3-methylpentan-3-yl)-2H-tetrazol-5-amine?
N-(3-methylpentan-3-yl)-2H-tetrazol-5-amine has a molecular weight of 169.23 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylpentan-3-yl)-2H-tetrazol-5-amine is sourced from PubChem (CID 164660637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).