1-pyridin-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine

C10H13N5 — CID 60978592

IUPAC1-pyridin-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine
SMILESCC(NCc1ncn[nH]1)c1ccccn1
InChIInChI=1S/C10H13N5/c1-8(9-4-2-3-5-11-9)12-6-10-13-7-14-15-10/h2-5,7-8,12H,6H2,1H3,(H,13,14,15)
InChIKeyCUGJDXXWCXWWCS-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.05
Rot. Bonds4

About 1-pyridin-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine

1-pyridin-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine (PubChem CID 60978592) has the molecular formula C10H13N5 and a molecular weight of 203.25 g/mol. Its IUPAC name is 1-pyridin-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-pyridin-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine
PubChem CID60978592
Molecular FormulaC10H13N5
Molecular Weight203.25 g/mol
Exact Mass203.12
IUPAC Name1-pyridin-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine
SMILESCC(NCc1ncn[nH]1)c1ccccn1
InChIInChI=1S/C10H13N5/c1-8(9-4-2-3-5-11-9)12-6-10-13-7-14-15-10/h2-5,7-8,12H,6H2,1H3,(H,13,14,15)
InChIKeyCUGJDXXWCXWWCS-UHFFFAOYSA-N
XLogP1.05
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-pyridin-2-yl-N-(pyrimidin-2-ylmethyl)ethanamine
CID 81407076
(1R)-1-pyridin-2-yl-N-(pyrimidin-5-ylmethyl)ethanamine
CID 81402120
1-(1-benzofuran-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine
CID 54884827
(1R)-N-[(2-ethylphenyl)methyl]-1-pyridin-2-ylethanamine
CID 81401879
(1S)-N-(1H-indol-3-ylmethyl)-1-pyridin-2-ylethanamine
CID 81401542
(1R)-N-[(2-methyltetrazol-5-yl)methyl]-1-pyridin-2-ylethanamine
CID 107042590
(1S)-N-[(2-methyltetrazol-5-yl)methyl]-1-pyridin-2-ylethanamine
CID 107042589
1-(3-methyl-1-benzofuran-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine
CID 54885120
(1S)-N-[(3-chloro-1H-indol-2-yl)methyl]-1-pyridin-2-ylethanamine
CID 81401552
2-[[(1R)-1-pyridin-2-ylethyl]amino]acetonitrile
CID 81407753
N-(1,2-oxazol-5-ylmethyl)-1-pyridin-2-ylethanamine
CID 103605434
1-pyridin-2-yl-N-[(2,4,6-trimethylphenyl)methyl]ethanamine
CID 43181287

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine?
The IUPAC name of 1-pyridin-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine (CID 60978592) is 1-pyridin-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine.
What is the SMILES notation for 1-pyridin-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine?
The canonical SMILES for 1-pyridin-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine is CC(NCc1ncn[nH]1)c1ccccn1.
What is the InChIKey of 1-pyridin-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine?
The InChIKey is CUGJDXXWCXWWCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5/c1-8(9-4-2-3-5-11-9)12-6-10-13-7-14-15-10/h2-5,7-8,12H,6H2,1H3,(H,13,14,15).
What are the key properties of 1-pyridin-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine?
1-pyridin-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine has a molecular weight of 203.25 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine is sourced from PubChem (CID 60978592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).