N-ethyl-1-(2-methyltetrazol-5-yl)-3-pyridin-4-ylpropan-2-amine

C12H18N6 — CID 107048946

IUPACN-ethyl-1-(2-methyltetrazol-5-yl)-3-pyridin-4-ylpropan-2-amine
SMILESCCNC(Cc1ccncc1)Cc1nnn(C)n1
InChIInChI=1S/C12H18N6/c1-3-14-11(8-10-4-6-13-7-5-10)9-12-15-17-18(2)16-12/h4-7,11,14H,3,8-9H2,1-2H3
InChIKeyZOKWCLLTNHRDBW-UHFFFAOYSA-N
MW246.32 g/mol
LogP0.37
Rot. Bonds6

About N-ethyl-1-(2-methyltetrazol-5-yl)-3-pyridin-4-ylpropan-2-amine

N-ethyl-1-(2-methyltetrazol-5-yl)-3-pyridin-4-ylpropan-2-amine (PubChem CID 107048946) has the molecular formula C12H18N6 and a molecular weight of 246.32 g/mol. Its IUPAC name is N-ethyl-1-(2-methyltetrazol-5-yl)-3-pyridin-4-ylpropan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(2-methyltetrazol-5-yl)-3-pyridin-4-ylpropan-2-amine
PubChem CID107048946
Molecular FormulaC12H18N6
Molecular Weight246.32 g/mol
Exact Mass246.16
IUPAC NameN-ethyl-1-(2-methyltetrazol-5-yl)-3-pyridin-4-ylpropan-2-amine
SMILESCCNC(Cc1ccncc1)Cc1nnn(C)n1
InChIInChI=1S/C12H18N6/c1-3-14-11(8-10-4-6-13-7-5-10)9-12-15-17-18(2)16-12/h4-7,11,14H,3,8-9H2,1-2H3
InChIKeyZOKWCLLTNHRDBW-UHFFFAOYSA-N
XLogP0.37
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.32
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-ethyl-1-(2-methyltetrazol-5-yl)-3-pyridin-4-ylpropan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-1-(2-methyltetrazol-5-yl)-3-thiophen-3-ylpropan-2-amine
CID 107065100
1-(2-methyltetrazol-5-yl)-N-propyl-4-pyridin-4-ylbutan-2-amine
CID 107065461
N-ethyl-4,4-dimethyl-1-(2-methyltetrazol-5-yl)pentan-2-amine
CID 107049227
N-ethyl-4-(4-methoxyphenyl)-1-(2-methyltetrazol-5-yl)butan-2-amine
CID 107065191
N-ethyl-1-(4-methyl-3-pyridinyl)-2-(2-methyltetrazol-5-yl)ethanamine
CID 107051307
N-ethyl-1-(2-methyltetrazol-5-yl)-3-phenoxypropan-2-amine
CID 107048963
1-(4-bromophenyl)-N-ethyl-3-pyridin-4-ylpropan-2-amine
CID 55087091
N-ethyl-1-(4-fluorophenyl)sulfanyl-3-(2-methyltetrazol-5-yl)propan-2-amine
CID 107049659
N-ethyl-1-(2-methyltetrazol-5-yl)-4-phenoxybutan-2-amine
CID 107048302
1-(4-methoxyphenyl)-N-methyl-3-(2-methyltetrazol-5-yl)propan-2-amine
CID 107048734
1-(2-chlorophenyl)sulfanyl-N-ethyl-3-(2-methyltetrazol-5-yl)propan-2-amine
CID 107049697
[1-(2-methyltetrazol-5-yl)-3-[4-(trifluoromethyl)phenyl]propan-2-yl]hydrazine
CID 107066944

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-methyltetrazol-5-yl)-3-pyridin-4-ylpropan-2-amine?
The IUPAC name of N-ethyl-1-(2-methyltetrazol-5-yl)-3-pyridin-4-ylpropan-2-amine (CID 107048946) is N-ethyl-1-(2-methyltetrazol-5-yl)-3-pyridin-4-ylpropan-2-amine.
What is the SMILES notation for N-ethyl-1-(2-methyltetrazol-5-yl)-3-pyridin-4-ylpropan-2-amine?
The canonical SMILES for N-ethyl-1-(2-methyltetrazol-5-yl)-3-pyridin-4-ylpropan-2-amine is CCNC(Cc1ccncc1)Cc1nnn(C)n1.
What is the InChIKey of N-ethyl-1-(2-methyltetrazol-5-yl)-3-pyridin-4-ylpropan-2-amine?
The InChIKey is ZOKWCLLTNHRDBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6/c1-3-14-11(8-10-4-6-13-7-5-10)9-12-15-17-18(2)16-12/h4-7,11,14H,3,8-9H2,1-2H3.
What are the key properties of N-ethyl-1-(2-methyltetrazol-5-yl)-3-pyridin-4-ylpropan-2-amine?
N-ethyl-1-(2-methyltetrazol-5-yl)-3-pyridin-4-ylpropan-2-amine has a molecular weight of 246.32 g/mol, XLogP of 0.37, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-methyltetrazol-5-yl)-3-pyridin-4-ylpropan-2-amine is sourced from PubChem (CID 107048946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).