N-(pyridin-2-ylmethyl)-1-[3-(tetrazol-1-yl)phenyl]ethanamine

C15H16N6 — CID 43195693

IUPACN-(pyridin-2-ylmethyl)-1-[3-(tetrazol-1-yl)phenyl]ethanamine
SMILESCC(NCc1ccccn1)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C15H16N6/c1-12(17-10-14-6-2-3-8-16-14)13-5-4-7-15(9-13)21-11-18-19-20-21/h2-9,11-12,17H,10H2,1H3
InChIKeyUKQATPCDRDNPDC-UHFFFAOYSA-N
MW280.33 g/mol
LogP1.91
Rot. Bonds5

About N-(pyridin-2-ylmethyl)-1-[3-(tetrazol-1-yl)phenyl]ethanamine

N-(pyridin-2-ylmethyl)-1-[3-(tetrazol-1-yl)phenyl]ethanamine (PubChem CID 43195693) has the molecular formula C15H16N6 and a molecular weight of 280.33 g/mol. Its IUPAC name is N-(pyridin-2-ylmethyl)-1-[3-(tetrazol-1-yl)phenyl]ethanamine.

Molecular Properties

Compound NameN-(pyridin-2-ylmethyl)-1-[3-(tetrazol-1-yl)phenyl]ethanamine
PubChem CID43195693
Molecular FormulaC15H16N6
Molecular Weight280.33 g/mol
Exact Mass280.14
IUPAC NameN-(pyridin-2-ylmethyl)-1-[3-(tetrazol-1-yl)phenyl]ethanamine
SMILESCC(NCc1ccccn1)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C15H16N6/c1-12(17-10-14-6-2-3-8-16-14)13-5-4-7-15(9-13)21-11-18-19-20-21/h2-9,11-12,17H,10H2,1H3
InChIKeyUKQATPCDRDNPDC-UHFFFAOYSA-N
XLogP1.91
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-[3-(tetrazol-1-yl)phenyl]ethanamine
CID 61281098
N-(1,2-oxazol-5-ylmethyl)-1-[3-(tetrazol-1-yl)phenyl]ethanamine
CID 106415586
2,2-dimethyl-N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]propan-1-amine
CID 61166998
1-[3-(tetrazol-1-yl)phenyl]-N-(thiophen-2-ylmethyl)ethanamine
CID 43204738
N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-[3-(tetrazol-1-yl)phenyl]ethanamine
CID 103786245
1-[3-(tetrazol-1-yl)phenyl]-N-[2-(1,3-thiazol-4-yl)ethyl]ethanamine
CID 63830975
N-(2-methylsulfinylethyl)-1-[3-(tetrazol-1-yl)phenyl]ethanamine
CID 115720609
N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]pent-3-yn-1-amine
CID 116642927
3-methoxy-N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]propan-1-amine
CID 43205101
N-[(1-propan-2-ylcyclopropyl)methyl]-1-[3-(tetrazol-1-yl)phenyl]ethanamine
CID 103903267
4-[1-[3-(tetrazol-1-yl)phenyl]ethylamino]butanamide
CID 60865372
2-hydroxy-3-[1-[3-(tetrazol-1-yl)phenyl]ethylamino]propanamide
CID 106171764

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-2-ylmethyl)-1-[3-(tetrazol-1-yl)phenyl]ethanamine?
The IUPAC name of N-(pyridin-2-ylmethyl)-1-[3-(tetrazol-1-yl)phenyl]ethanamine (CID 43195693) is N-(pyridin-2-ylmethyl)-1-[3-(tetrazol-1-yl)phenyl]ethanamine.
What is the SMILES notation for N-(pyridin-2-ylmethyl)-1-[3-(tetrazol-1-yl)phenyl]ethanamine?
The canonical SMILES for N-(pyridin-2-ylmethyl)-1-[3-(tetrazol-1-yl)phenyl]ethanamine is CC(NCc1ccccn1)c1cccc(-n2cnnn2)c1.
What is the InChIKey of N-(pyridin-2-ylmethyl)-1-[3-(tetrazol-1-yl)phenyl]ethanamine?
The InChIKey is UKQATPCDRDNPDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6/c1-12(17-10-14-6-2-3-8-16-14)13-5-4-7-15(9-13)21-11-18-19-20-21/h2-9,11-12,17H,10H2,1H3.
What are the key properties of N-(pyridin-2-ylmethyl)-1-[3-(tetrazol-1-yl)phenyl]ethanamine?
N-(pyridin-2-ylmethyl)-1-[3-(tetrazol-1-yl)phenyl]ethanamine has a molecular weight of 280.33 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-2-ylmethyl)-1-[3-(tetrazol-1-yl)phenyl]ethanamine is sourced from PubChem (CID 43195693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).