N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1-phenyltetrazol-5-amine

C13H17N5O2 — CID 133459238

IUPACN-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1-phenyltetrazol-5-amine
SMILESCC1(CCNc2nnnn2-c2ccccc2)OCCO1
InChIInChI=1S/C13H17N5O2/c1-13(19-9-10-20-13)7-8-14-12-15-16-17-18(12)11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H,14,15,17)
InChIKeyTWSXFNBHMNGVLU-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.23
Rot. Bonds5

About N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1-phenyltetrazol-5-amine

N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1-phenyltetrazol-5-amine (PubChem CID 133459238) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1-phenyltetrazol-5-amine.

Molecular Properties

Compound NameN-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1-phenyltetrazol-5-amine
PubChem CID133459238
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC NameN-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1-phenyltetrazol-5-amine
SMILESCC1(CCNc2nnnn2-c2ccccc2)OCCO1
InChIInChI=1S/C13H17N5O2/c1-13(19-9-10-20-13)7-8-14-12-15-16-17-18(12)11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H,14,15,17)
InChIKeyTWSXFNBHMNGVLU-UHFFFAOYSA-N
XLogP1.23
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1-phenyltetrazol-5-amine?
The IUPAC name of N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1-phenyltetrazol-5-amine (CID 133459238) is N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1-phenyltetrazol-5-amine.
What is the SMILES notation for N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1-phenyltetrazol-5-amine?
The canonical SMILES for N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1-phenyltetrazol-5-amine is CC1(CCNc2nnnn2-c2ccccc2)OCCO1.
What is the InChIKey of N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1-phenyltetrazol-5-amine?
The InChIKey is TWSXFNBHMNGVLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-13(19-9-10-20-13)7-8-14-12-15-16-17-18(12)11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H,14,15,17).
What are the key properties of N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1-phenyltetrazol-5-amine?
N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1-phenyltetrazol-5-amine has a molecular weight of 275.31 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1-phenyltetrazol-5-amine is sourced from PubChem (CID 133459238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).