N-[[4-(2-aminoethyl)phenyl]methyl]-1-methyltetrazol-5-amine

C11H16N6 — CID 63150195

IUPACN-[[4-(2-aminoethyl)phenyl]methyl]-1-methyltetrazol-5-amine
SMILESCn1nnnc1NCc1ccc(CCN)cc1
InChIInChI=1S/C11H16N6/c1-17-11(14-15-16-17)13-8-10-4-2-9(3-5-10)6-7-12/h2-5H,6-8,12H2,1H3,(H,13,14,16)
InChIKeyPFNJXROQJZUNTK-UHFFFAOYSA-N
MW232.29 g/mol
LogP0.32
Rot. Bonds5

About N-[[4-(2-aminoethyl)phenyl]methyl]-1-methyltetrazol-5-amine

N-[[4-(2-aminoethyl)phenyl]methyl]-1-methyltetrazol-5-amine (PubChem CID 63150195) has the molecular formula C11H16N6 and a molecular weight of 232.29 g/mol. Its IUPAC name is N-[[4-(2-aminoethyl)phenyl]methyl]-1-methyltetrazol-5-amine.

Molecular Properties

Compound NameN-[[4-(2-aminoethyl)phenyl]methyl]-1-methyltetrazol-5-amine
PubChem CID63150195
Molecular FormulaC11H16N6
Molecular Weight232.29 g/mol
Exact Mass232.14
IUPAC NameN-[[4-(2-aminoethyl)phenyl]methyl]-1-methyltetrazol-5-amine
SMILESCn1nnnc1NCc1ccc(CCN)cc1
InChIInChI=1S/C11H16N6/c1-17-11(14-15-16-17)13-8-10-4-2-9(3-5-10)6-7-12/h2-5H,6-8,12H2,1H3,(H,13,14,16)
InChIKeyPFNJXROQJZUNTK-UHFFFAOYSA-N
XLogP0.32
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-aminoethyl)phenyl]methyl]-1-methyltetrazol-5-amine?
The IUPAC name of N-[[4-(2-aminoethyl)phenyl]methyl]-1-methyltetrazol-5-amine (CID 63150195) is N-[[4-(2-aminoethyl)phenyl]methyl]-1-methyltetrazol-5-amine.
What is the SMILES notation for N-[[4-(2-aminoethyl)phenyl]methyl]-1-methyltetrazol-5-amine?
The canonical SMILES for N-[[4-(2-aminoethyl)phenyl]methyl]-1-methyltetrazol-5-amine is Cn1nnnc1NCc1ccc(CCN)cc1.
What is the InChIKey of N-[[4-(2-aminoethyl)phenyl]methyl]-1-methyltetrazol-5-amine?
The InChIKey is PFNJXROQJZUNTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6/c1-17-11(14-15-16-17)13-8-10-4-2-9(3-5-10)6-7-12/h2-5H,6-8,12H2,1H3,(H,13,14,16).
What are the key properties of N-[[4-(2-aminoethyl)phenyl]methyl]-1-methyltetrazol-5-amine?
N-[[4-(2-aminoethyl)phenyl]methyl]-1-methyltetrazol-5-amine has a molecular weight of 232.29 g/mol, XLogP of 0.32, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-aminoethyl)phenyl]methyl]-1-methyltetrazol-5-amine is sourced from PubChem (CID 63150195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).