6-methoxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine

C10H13N5O — CID 106283004

IUPAC6-methoxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine
SMILESCOc1cccc(NC(C)c2ncn[nH]2)n1
InChIInChI=1S/C10H13N5O/c1-7(10-11-6-12-15-10)13-8-4-3-5-9(14-8)16-2/h3-7H,1-2H3,(H,13,14)(H,11,12,15)
InChIKeyIHEFCVQRVADAHA-UHFFFAOYSA-N
MW219.25 g/mol
LogP1.38
Rot. Bonds4

About 6-methoxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine

6-methoxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine (PubChem CID 106283004) has the molecular formula C10H13N5O and a molecular weight of 219.25 g/mol. Its IUPAC name is 6-methoxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name6-methoxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine
PubChem CID106283004
Molecular FormulaC10H13N5O
Molecular Weight219.25 g/mol
Exact Mass219.11
IUPAC Name6-methoxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine
SMILESCOc1cccc(NC(C)c2ncn[nH]2)n1
InChIInChI=1S/C10H13N5O/c1-7(10-11-6-12-15-10)13-8-4-3-5-9(14-8)16-2/h3-7H,1-2H3,(H,13,14)(H,11,12,15)
InChIKeyIHEFCVQRVADAHA-UHFFFAOYSA-N
XLogP1.38
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-methoxy-2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine
CID 114168104
6-methoxy-N-propan-2-ylpyridin-2-amine
CID 15593350
6-ethoxy-2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine
CID 106282952
6-chloro-2-propan-2-yl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine
CID 106282777
3-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzene-1,3-diamine
CID 106281307
3-methoxy-2-[(6-methoxy-2-pyridinyl)amino]propan-1-ol
CID 106186402
2-tert-butyl-6-chloro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine
CID 114168057
N-[(3-methoxyphenyl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 113346006
2-methyl-3-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzene-1,3-diamine
CID 106281231
N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-benzimidazol-2-amine
CID 106282981
3-methoxy-2-N-(6-methoxy-2-pyridinyl)propane-1,2-diamine
CID 106181643
6-methoxy-N-(2-propan-2-yloxyethyl)pyridin-2-amine
CID 104762395

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine?
The IUPAC name of 6-methoxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine (CID 106283004) is 6-methoxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine.
What is the SMILES notation for 6-methoxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine?
The canonical SMILES for 6-methoxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine is COc1cccc(NC(C)c2ncn[nH]2)n1.
What is the InChIKey of 6-methoxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine?
The InChIKey is IHEFCVQRVADAHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O/c1-7(10-11-6-12-15-10)13-8-4-3-5-9(14-8)16-2/h3-7H,1-2H3,(H,13,14)(H,11,12,15).
What are the key properties of 6-methoxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine?
6-methoxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine has a molecular weight of 219.25 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine is sourced from PubChem (CID 106283004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).