N-[(2-methyltetrazol-5-yl)methyl]-2-pyridin-2-ylethanamine

C10H14N6 — CID 107042048

IUPACN-[(2-methyltetrazol-5-yl)methyl]-2-pyridin-2-ylethanamine
SMILESCn1nnc(CNCCc2ccccn2)n1
InChIInChI=1S/C10H14N6/c1-16-14-10(13-15-16)8-11-7-5-9-4-2-3-6-12-9/h2-4,6,11H,5,7-8H2,1H3
InChIKeyYAYJZWVKEYCMNI-UHFFFAOYSA-N
MW218.26 g/mol
LogP-0.06
Rot. Bonds5

About N-[(2-methyltetrazol-5-yl)methyl]-2-pyridin-2-ylethanamine

N-[(2-methyltetrazol-5-yl)methyl]-2-pyridin-2-ylethanamine (PubChem CID 107042048) has the molecular formula C10H14N6 and a molecular weight of 218.26 g/mol. Its IUPAC name is N-[(2-methyltetrazol-5-yl)methyl]-2-pyridin-2-ylethanamine.

Molecular Properties

Compound NameN-[(2-methyltetrazol-5-yl)methyl]-2-pyridin-2-ylethanamine
PubChem CID107042048
Molecular FormulaC10H14N6
Molecular Weight218.26 g/mol
Exact Mass218.13
IUPAC NameN-[(2-methyltetrazol-5-yl)methyl]-2-pyridin-2-ylethanamine
SMILESCn1nnc(CNCCc2ccccn2)n1
InChIInChI=1S/C10H14N6/c1-16-14-10(13-15-16)8-11-7-5-9-4-2-3-6-12-9/h2-4,6,11H,5,7-8H2,1H3
InChIKeyYAYJZWVKEYCMNI-UHFFFAOYSA-N
XLogP-0.06
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-fluorophenyl)-N-[(2-methyltetrazol-5-yl)methyl]ethanamine
CID 107042037
N-[(4-fluorophenyl)methyl]-2-pyridin-2-ylethanamine
CID 13082717
(1R)-N-[(2-methyltetrazol-5-yl)methyl]-1-pyridin-2-ylethanamine
CID 107042590
3-(3,5-dimethylpyrazol-1-yl)-N-(2-pyridin-2-ylethyl)propan-1-amine
CID 115571467
N-methyl-2-pyridin-2-ylethanamine dichloride
CID 45114105
2-pyridin-2-yl-N-(pyrimidin-5-ylmethyl)ethanamine
CID 62758203
2-pyridin-2-yl-N-[[7-[(2-pyridin-2-ylethylamino)methyl]-1,8-naphthyridin-2-yl]methyl]ethanamine
CID 15544455
N-[(2-methyltetrazol-5-yl)methyl]-2-(triazol-1-yl)ethanamine
CID 107042671
N-methyl-2-pyridin-2-ylethanamine;hydroiodide
CID 135260552
N-[(3-methylfuran-2-yl)methyl]-2-pyridin-2-ylethanamine
CID 115651235
4-pyridin-2-yl-N-(pyridin-2-ylmethyl)butan-1-amine
CID 158855450
2-pyridin-2-yl-N-[2-[2-(2-pyridin-2-ylethylamino)ethyldisulfanyl]ethyl]ethanamine
CID 101109360

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyltetrazol-5-yl)methyl]-2-pyridin-2-ylethanamine?
The IUPAC name of N-[(2-methyltetrazol-5-yl)methyl]-2-pyridin-2-ylethanamine (CID 107042048) is N-[(2-methyltetrazol-5-yl)methyl]-2-pyridin-2-ylethanamine.
What is the SMILES notation for N-[(2-methyltetrazol-5-yl)methyl]-2-pyridin-2-ylethanamine?
The canonical SMILES for N-[(2-methyltetrazol-5-yl)methyl]-2-pyridin-2-ylethanamine is Cn1nnc(CNCCc2ccccn2)n1.
What is the InChIKey of N-[(2-methyltetrazol-5-yl)methyl]-2-pyridin-2-ylethanamine?
The InChIKey is YAYJZWVKEYCMNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6/c1-16-14-10(13-15-16)8-11-7-5-9-4-2-3-6-12-9/h2-4,6,11H,5,7-8H2,1H3.
What are the key properties of N-[(2-methyltetrazol-5-yl)methyl]-2-pyridin-2-ylethanamine?
N-[(2-methyltetrazol-5-yl)methyl]-2-pyridin-2-ylethanamine has a molecular weight of 218.26 g/mol, XLogP of -0.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyltetrazol-5-yl)methyl]-2-pyridin-2-ylethanamine is sourced from PubChem (CID 107042048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).