(1S)-N-[(3-methyltriazol-4-yl)methyl]-1-pyridin-2-ylethanamine

C11H15N5 — CID 103739296

IUPAC(1S)-N-[(3-methyltriazol-4-yl)methyl]-1-pyridin-2-ylethanamine
SMILESC[C@H](NCc1cnnn1C)c1ccccn1
InChIInChI=1S/C11H15N5/c1-9(11-5-3-4-6-12-11)13-7-10-8-14-15-16(10)2/h3-6,8-9,13H,7H2,1-2H3/t9-/m0/s1
InChIKeyBRTBTRXTWXOZBW-VIFPVBQESA-N
MW217.28 g/mol
LogP1.06
Rot. Bonds4

About (1S)-N-[(3-methyltriazol-4-yl)methyl]-1-pyridin-2-ylethanamine

(1S)-N-[(3-methyltriazol-4-yl)methyl]-1-pyridin-2-ylethanamine (PubChem CID 103739296) has the molecular formula C11H15N5 and a molecular weight of 217.28 g/mol. Its IUPAC name is (1S)-N-[(3-methyltriazol-4-yl)methyl]-1-pyridin-2-ylethanamine.

Molecular Properties

Compound Name(1S)-N-[(3-methyltriazol-4-yl)methyl]-1-pyridin-2-ylethanamine
PubChem CID103739296
Molecular FormulaC11H15N5
Molecular Weight217.28 g/mol
Exact Mass217.13
IUPAC Name(1S)-N-[(3-methyltriazol-4-yl)methyl]-1-pyridin-2-ylethanamine
SMILESC[C@H](NCc1cnnn1C)c1ccccn1
InChIInChI=1S/C11H15N5/c1-9(11-5-3-4-6-12-11)13-7-10-8-14-15-16(10)2/h3-6,8-9,13H,7H2,1-2H3/t9-/m0/s1
InChIKeyBRTBTRXTWXOZBW-VIFPVBQESA-N
XLogP1.06
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1S)-N-[(3-methylimidazol-4-yl)methyl]-1-pyridin-2-ylethanamine
CID 78921600
1-(furan-2-yl)-N-[(3-methyltriazol-4-yl)methyl]ethanamine
CID 115682172
1-(2-methoxyphenyl)-N-[(3-methyltriazol-4-yl)methyl]ethanamine
CID 115682134
(1R)-1-pyridin-2-yl-N-(pyrimidin-2-ylmethyl)ethanamine
CID 81407076
(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
(1R)-1-pyridin-2-yl-N-(pyrimidin-5-ylmethyl)ethanamine
CID 81402120
(1S)-N-[(3-chloro-1H-indol-2-yl)methyl]-1-pyridin-2-ylethanamine
CID 81401552
1-(3-fluorophenyl)-N-[(3-methyltriazol-4-yl)methyl]ethanamine
CID 115682035
(1R)-N-[(2-ethylphenyl)methyl]-1-pyridin-2-ylethanamine
CID 81401879
1-(2,4-dimethylphenyl)-N-[(3-methyltriazol-4-yl)methyl]ethanamine
CID 115682383
1-(5-chlorothiophen-2-yl)-N-[(3-methyltriazol-4-yl)methyl]ethanamine
CID 115682250

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(3-methyltriazol-4-yl)methyl]-1-pyridin-2-ylethanamine?
The IUPAC name of (1S)-N-[(3-methyltriazol-4-yl)methyl]-1-pyridin-2-ylethanamine (CID 103739296) is (1S)-N-[(3-methyltriazol-4-yl)methyl]-1-pyridin-2-ylethanamine.
What is the SMILES notation for (1S)-N-[(3-methyltriazol-4-yl)methyl]-1-pyridin-2-ylethanamine?
The canonical SMILES for (1S)-N-[(3-methyltriazol-4-yl)methyl]-1-pyridin-2-ylethanamine is C[C@H](NCc1cnnn1C)c1ccccn1.
What is the InChIKey of (1S)-N-[(3-methyltriazol-4-yl)methyl]-1-pyridin-2-ylethanamine?
The InChIKey is BRTBTRXTWXOZBW-VIFPVBQESA-N. The full InChI is InChI=1S/C11H15N5/c1-9(11-5-3-4-6-12-11)13-7-10-8-14-15-16(10)2/h3-6,8-9,13H,7H2,1-2H3/t9-/m0/s1.
What are the key properties of (1S)-N-[(3-methyltriazol-4-yl)methyl]-1-pyridin-2-ylethanamine?
(1S)-N-[(3-methyltriazol-4-yl)methyl]-1-pyridin-2-ylethanamine has a molecular weight of 217.28 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(3-methyltriazol-4-yl)methyl]-1-pyridin-2-ylethanamine is sourced from PubChem (CID 103739296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).