2-[5-(pyridin-2-ylmethyl)tetrazol-1-yl]ethanamine

C9H12N6 — CID 61372954

IUPAC2-[5-(pyridin-2-ylmethyl)tetrazol-1-yl]ethanamine
SMILESNCCn1nnnc1Cc1ccccn1
InChIInChI=1S/C9H12N6/c10-4-6-15-9(12-13-14-15)7-8-3-1-2-5-11-8/h1-3,5H,4,6-7,10H2
InChIKeyHLLPLCSHDILEGR-UHFFFAOYSA-N
MW204.24 g/mol
LogP-0.38
Rot. Bonds4

About 2-[5-(pyridin-2-ylmethyl)tetrazol-1-yl]ethanamine

2-[5-(pyridin-2-ylmethyl)tetrazol-1-yl]ethanamine (PubChem CID 61372954) has the molecular formula C9H12N6 and a molecular weight of 204.24 g/mol. Its IUPAC name is 2-[5-(pyridin-2-ylmethyl)tetrazol-1-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(pyridin-2-ylmethyl)tetrazol-1-yl]ethanamine
PubChem CID61372954
Molecular FormulaC9H12N6
Molecular Weight204.24 g/mol
Exact Mass204.11
IUPAC Name2-[5-(pyridin-2-ylmethyl)tetrazol-1-yl]ethanamine
SMILESNCCn1nnnc1Cc1ccccn1
InChIInChI=1S/C9H12N6/c10-4-6-15-9(12-13-14-15)7-8-3-1-2-5-11-8/h1-3,5H,4,6-7,10H2
InChIKeyHLLPLCSHDILEGR-UHFFFAOYSA-N
XLogP-0.38
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.24
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-(naphthalen-1-ylmethyl)tetrazol-1-yl]ethanamine
CID 84758899
2-[[1-[[4-(difluoromethoxy)phenyl]methyl]tetrazol-5-yl]methyl]pyridine
CID 71857781
2-[(1-propyltetrazol-5-yl)methylsulfanylmethyl]pyridine
CID 75446599
4-[5-(2-pyridin-2-ylethyl)tetrazol-1-yl]butanoic acid
CID 113269967
2-[5-[(2-fluorophenyl)sulfanylmethyl]tetrazol-1-yl]ethanamine
CID 66052129
2-[5-[(2-methylphenyl)sulfanylmethyl]tetrazol-1-yl]ethanamine
CID 66097605
4-[5-[(2-chlorophenyl)methyl]tetrazol-1-yl]butan-1-amine
CID 114182253
3,5-difluoro-N-hydroxy-4-[[5-(pyridin-2-ylmethyl)tetrazol-1-yl]methyl]benzamide;2,2,2-trifluoroacetic acid
CID 135357818
4-[5-(pyridin-3-ylmethyl)tetrazol-1-yl]butan-1-amine
CID 114182228
2-(5-quinolin-2-yltetrazol-1-yl)ethanamine
CID 63222687
[4-(aminomethyl)-2,3-bis(pyridin-2-ylmethyl)phenyl]methanamine
CID 68592017
ethane;pyridin-2-ylmethanamine
CID 90791011

Frequently Asked Questions

What is the IUPAC name of 2-[5-(pyridin-2-ylmethyl)tetrazol-1-yl]ethanamine?
The IUPAC name of 2-[5-(pyridin-2-ylmethyl)tetrazol-1-yl]ethanamine (CID 61372954) is 2-[5-(pyridin-2-ylmethyl)tetrazol-1-yl]ethanamine.
What is the SMILES notation for 2-[5-(pyridin-2-ylmethyl)tetrazol-1-yl]ethanamine?
The canonical SMILES for 2-[5-(pyridin-2-ylmethyl)tetrazol-1-yl]ethanamine is NCCn1nnnc1Cc1ccccn1.
What is the InChIKey of 2-[5-(pyridin-2-ylmethyl)tetrazol-1-yl]ethanamine?
The InChIKey is HLLPLCSHDILEGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6/c10-4-6-15-9(12-13-14-15)7-8-3-1-2-5-11-8/h1-3,5H,4,6-7,10H2.
What are the key properties of 2-[5-(pyridin-2-ylmethyl)tetrazol-1-yl]ethanamine?
2-[5-(pyridin-2-ylmethyl)tetrazol-1-yl]ethanamine has a molecular weight of 204.24 g/mol, XLogP of -0.38, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(pyridin-2-ylmethyl)tetrazol-1-yl]ethanamine is sourced from PubChem (CID 61372954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).