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

C12H17N5O — CID 106282963

IUPAC3-propoxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine
SMILESCCCOc1cccnc1NC(C)c1ncn[nH]1
InChIInChI=1S/C12H17N5O/c1-3-7-18-10-5-4-6-13-12(10)16-9(2)11-14-8-15-17-11/h4-6,8-9H,3,7H2,1-2H3,(H,13,16)(H,14,15,17)
InChIKeyCFHBYUMOCSMOKZ-UHFFFAOYSA-N
MW247.30 g/mol
LogP2.16
Rot. Bonds6

About 3-propoxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine

3-propoxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine (PubChem CID 106282963) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 3-propoxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name3-propoxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine
PubChem CID106282963
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name3-propoxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine
SMILESCCCOc1cccnc1NC(C)c1ncn[nH]1
InChIInChI=1S/C12H17N5O/c1-3-7-18-10-5-4-6-13-12(10)16-9(2)11-14-8-15-17-11/h4-6,8-9H,3,7H2,1-2H3,(H,13,16)(H,14,15,17)
InChIKeyCFHBYUMOCSMOKZ-UHFFFAOYSA-N
XLogP2.16
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-ethylpentan-2-yl)-3-propoxypyridin-2-amine
CID 113370934
3-chloro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine
CID 106282806
3-methoxy-2-N-(3-propoxy-2-pyridinyl)propane-1,2-diamine
CID 114155004
5-[(3-propoxy-2-pyridinyl)amino]pentan-2-ol
CID 106129002
4-methyl-6-propoxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-2-amine
CID 106282926
1-ethyl-3-[1-(1H-1,2,4-triazol-5-yl)ethylamino]pyrazin-2-one
CID 103943105
3-amino-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2-sulfonamide
CID 106283511
2-(2-ethoxyphenoxy)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 103716236
N-[(4-ethylphenyl)methyl]-3-propoxypyridin-2-amine
CID 106900046
2,3-dimethyl-3-[(3-propoxy-2-pyridinyl)amino]butan-2-ol
CID 106185999
N-(3-propoxy-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-amine
CID 113371050
3-methoxy-N-pentan-2-ylpyridin-2-amine
CID 115923066

Frequently Asked Questions

What is the IUPAC name of 3-propoxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine?
The IUPAC name of 3-propoxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine (CID 106282963) is 3-propoxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine.
What is the SMILES notation for 3-propoxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine?
The canonical SMILES for 3-propoxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine is CCCOc1cccnc1NC(C)c1ncn[nH]1.
What is the InChIKey of 3-propoxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine?
The InChIKey is CFHBYUMOCSMOKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-3-7-18-10-5-4-6-13-12(10)16-9(2)11-14-8-15-17-11/h4-6,8-9H,3,7H2,1-2H3,(H,13,16)(H,14,15,17).
What are the key properties of 3-propoxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine?
3-propoxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine has a molecular weight of 247.30 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propoxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine is sourced from PubChem (CID 106282963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).