(1S)-N-[(2-methyltetrazol-5-yl)methyl]-1-pyridin-2-ylethanamine

C10H14N6 — CID 107042589

IUPAC(1S)-N-[(2-methyltetrazol-5-yl)methyl]-1-pyridin-2-ylethanamine
SMILESC[C@H](NCc1nnn(C)n1)c1ccccn1
InChIInChI=1S/C10H14N6/c1-8(9-5-3-4-6-11-9)12-7-10-13-15-16(2)14-10/h3-6,8,12H,7H2,1-2H3/t8-/m0/s1
InChIKeyCYMCIARRZLAGMF-QMMMGPOBSA-N
MW218.26 g/mol
LogP0.46
Rot. Bonds4

About (1S)-N-[(2-methyltetrazol-5-yl)methyl]-1-pyridin-2-ylethanamine

(1S)-N-[(2-methyltetrazol-5-yl)methyl]-1-pyridin-2-ylethanamine (PubChem CID 107042589) has the molecular formula C10H14N6 and a molecular weight of 218.26 g/mol. Its IUPAC name is (1S)-N-[(2-methyltetrazol-5-yl)methyl]-1-pyridin-2-ylethanamine.

Molecular Properties

Compound Name(1S)-N-[(2-methyltetrazol-5-yl)methyl]-1-pyridin-2-ylethanamine
PubChem CID107042589
Molecular FormulaC10H14N6
Molecular Weight218.26 g/mol
Exact Mass218.13
IUPAC Name(1S)-N-[(2-methyltetrazol-5-yl)methyl]-1-pyridin-2-ylethanamine
SMILESC[C@H](NCc1nnn(C)n1)c1ccccn1
InChIInChI=1S/C10H14N6/c1-8(9-5-3-4-6-11-9)12-7-10-13-15-16(2)14-10/h3-6,8,12H,7H2,1-2H3/t8-/m0/s1
InChIKeyCYMCIARRZLAGMF-QMMMGPOBSA-N
XLogP0.46
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(1R)-N-[(2-methyltetrazol-5-yl)methyl]-1-pyridin-2-ylethanamine
CID 107042590
(1R)-1-pyridin-2-yl-N-(pyrimidin-2-ylmethyl)ethanamine
CID 81407076
(1S)-N-[(3-methylimidazol-4-yl)methyl]-1-pyridin-2-ylethanamine
CID 78921600
(1R)-1-(2-methoxyphenyl)-N-[(2-methyltetrazol-5-yl)methyl]ethanamine
CID 107042579
(1S)-N-[(3-methyltriazol-4-yl)methyl]-1-pyridin-2-ylethanamine
CID 103739296
N-[(1S)-1-pyridin-2-ylethyl]but-2-yn-1-amine
CID 81402313
(1R)-N-[(2-ethylphenyl)methyl]-1-pyridin-2-ylethanamine
CID 81401879
1-pyridin-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine
CID 60978592
(1S)-N-(1H-indol-3-ylmethyl)-1-pyridin-2-ylethanamine
CID 81401542
(1R)-1-pyridin-2-yl-N-(pyrimidin-5-ylmethyl)ethanamine
CID 81402120
(1S)-1-pyridin-2-yl-N-(thiadiazol-4-ylmethyl)ethanamine
CID 81401864
N-[(1-methylbenzimidazol-2-yl)methyl]-1-pyridin-2-ylethanamine
CID 62998610

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(2-methyltetrazol-5-yl)methyl]-1-pyridin-2-ylethanamine?
The IUPAC name of (1S)-N-[(2-methyltetrazol-5-yl)methyl]-1-pyridin-2-ylethanamine (CID 107042589) is (1S)-N-[(2-methyltetrazol-5-yl)methyl]-1-pyridin-2-ylethanamine.
What is the SMILES notation for (1S)-N-[(2-methyltetrazol-5-yl)methyl]-1-pyridin-2-ylethanamine?
The canonical SMILES for (1S)-N-[(2-methyltetrazol-5-yl)methyl]-1-pyridin-2-ylethanamine is C[C@H](NCc1nnn(C)n1)c1ccccn1.
What is the InChIKey of (1S)-N-[(2-methyltetrazol-5-yl)methyl]-1-pyridin-2-ylethanamine?
The InChIKey is CYMCIARRZLAGMF-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H14N6/c1-8(9-5-3-4-6-11-9)12-7-10-13-15-16(2)14-10/h3-6,8,12H,7H2,1-2H3/t8-/m0/s1.
What are the key properties of (1S)-N-[(2-methyltetrazol-5-yl)methyl]-1-pyridin-2-ylethanamine?
(1S)-N-[(2-methyltetrazol-5-yl)methyl]-1-pyridin-2-ylethanamine has a molecular weight of 218.26 g/mol, XLogP of 0.46, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(2-methyltetrazol-5-yl)methyl]-1-pyridin-2-ylethanamine is sourced from PubChem (CID 107042589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).