N-ethyl-1-(4-methyl-3-pyridinyl)-2-(2-methyltetrazol-5-yl)ethanamine

C12H18N6 — CID 107051307

IUPACN-ethyl-1-(4-methyl-3-pyridinyl)-2-(2-methyltetrazol-5-yl)ethanamine
SMILESCCNC(Cc1nnn(C)n1)c1cnccc1C
InChIInChI=1S/C12H18N6/c1-4-14-11(7-12-15-17-18(3)16-12)10-8-13-6-5-9(10)2/h5-6,8,11,14H,4,7H2,1-3H3
InChIKeyMRANEKDRZSRIDD-UHFFFAOYSA-N
MW246.32 g/mol
LogP0.81
Rot. Bonds5

About N-ethyl-1-(4-methyl-3-pyridinyl)-2-(2-methyltetrazol-5-yl)ethanamine

N-ethyl-1-(4-methyl-3-pyridinyl)-2-(2-methyltetrazol-5-yl)ethanamine (PubChem CID 107051307) has the molecular formula C12H18N6 and a molecular weight of 246.32 g/mol. Its IUPAC name is N-ethyl-1-(4-methyl-3-pyridinyl)-2-(2-methyltetrazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(4-methyl-3-pyridinyl)-2-(2-methyltetrazol-5-yl)ethanamine
PubChem CID107051307
Molecular FormulaC12H18N6
Molecular Weight246.32 g/mol
Exact Mass246.16
IUPAC NameN-ethyl-1-(4-methyl-3-pyridinyl)-2-(2-methyltetrazol-5-yl)ethanamine
SMILESCCNC(Cc1nnn(C)n1)c1cnccc1C
InChIInChI=1S/C12H18N6/c1-4-14-11(7-12-15-17-18(3)16-12)10-8-13-6-5-9(10)2/h5-6,8,11,14H,4,7H2,1-3H3
InChIKeyMRANEKDRZSRIDD-UHFFFAOYSA-N
XLogP0.81
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.32
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-1-(2-methylphenyl)-2-(2-methyltetrazol-5-yl)ethanamine
CID 107048584
1-(2,3-dimethylphenyl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107064894
1-(4-methyl-3-pyridinyl)-2-(2-methyltetrazol-5-yl)ethanamine
CID 107051303
N-ethyl-1-(4-fluoro-2-methylphenyl)-2-(2-methyltetrazol-5-yl)ethanamine
CID 107050491
N-ethyl-1-(2-fluorophenyl)-2-(2-methyltetrazol-5-yl)ethanamine
CID 107049108
1-(2-bromo-4-methylphenyl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107065389
N-ethyl-2-(2-methyltetrazol-5-yl)-1-(3-methylthiophen-2-yl)ethanamine
CID 107064997
1-(2,4-dibromophenyl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107947182
N-ethyl-3-methyl-1-(4-methyl-3-pyridinyl)butan-1-amine
CID 66272697
1-(3-fluoro-4-pyridinyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107050582
N-ethyl-2-(2-methyltetrazol-5-yl)-1-(2H-triazol-4-yl)ethanamine
CID 107050427
N-ethyl-1-(2-methyltetrazol-5-yl)-3-pyridin-4-ylpropan-2-amine
CID 107048946

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-methyl-3-pyridinyl)-2-(2-methyltetrazol-5-yl)ethanamine?
The IUPAC name of N-ethyl-1-(4-methyl-3-pyridinyl)-2-(2-methyltetrazol-5-yl)ethanamine (CID 107051307) is N-ethyl-1-(4-methyl-3-pyridinyl)-2-(2-methyltetrazol-5-yl)ethanamine.
What is the SMILES notation for N-ethyl-1-(4-methyl-3-pyridinyl)-2-(2-methyltetrazol-5-yl)ethanamine?
The canonical SMILES for N-ethyl-1-(4-methyl-3-pyridinyl)-2-(2-methyltetrazol-5-yl)ethanamine is CCNC(Cc1nnn(C)n1)c1cnccc1C.
What is the InChIKey of N-ethyl-1-(4-methyl-3-pyridinyl)-2-(2-methyltetrazol-5-yl)ethanamine?
The InChIKey is MRANEKDRZSRIDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6/c1-4-14-11(7-12-15-17-18(3)16-12)10-8-13-6-5-9(10)2/h5-6,8,11,14H,4,7H2,1-3H3.
What are the key properties of N-ethyl-1-(4-methyl-3-pyridinyl)-2-(2-methyltetrazol-5-yl)ethanamine?
N-ethyl-1-(4-methyl-3-pyridinyl)-2-(2-methyltetrazol-5-yl)ethanamine has a molecular weight of 246.32 g/mol, XLogP of 0.81, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-methyl-3-pyridinyl)-2-(2-methyltetrazol-5-yl)ethanamine is sourced from PubChem (CID 107051307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).