6-propoxy-2-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-2,5-diamine

C13H19N5O — CID 106217168

IUPAC6-propoxy-2-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-2,5-diamine
SMILESCCCOc1nc(NC(C)c2cn[nH]c2)ccc1N
InChIInChI=1S/C13H19N5O/c1-3-6-19-13-11(14)4-5-12(18-13)17-9(2)10-7-15-16-8-10/h4-5,7-9H,3,6,14H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyATRGKSUTCZZSIT-UHFFFAOYSA-N
MW261.33 g/mol
LogP2.35
Rot. Bonds6

About 6-propoxy-2-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-2,5-diamine

6-propoxy-2-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-2,5-diamine (PubChem CID 106217168) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 6-propoxy-2-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-2,5-diamine.

Molecular Properties

Compound Name6-propoxy-2-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-2,5-diamine
PubChem CID106217168
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name6-propoxy-2-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-2,5-diamine
SMILESCCCOc1nc(NC(C)c2cn[nH]c2)ccc1N
InChIInChI=1S/C13H19N5O/c1-3-6-19-13-11(14)4-5-12(18-13)17-9(2)10-7-15-16-8-10/h4-5,7-9H,3,6,14H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyATRGKSUTCZZSIT-UHFFFAOYSA-N
XLogP2.35
TPSA88.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-propan-2-yl-6-propoxypyridine-2,5-diamine
CID 43260874
6-propoxy-2-N-(1-thiophen-3-ylethyl)pyridine-2,5-diamine
CID 62842553
2-[(5-amino-6-propoxy-2-pyridinyl)amino]propanamide
CID 43545441
2-N-(2-methylpentan-3-yl)-6-propoxypyridine-2,5-diamine
CID 54954505
6-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-2,6-diamine
CID 106215688
2-N-heptan-2-yl-6-propoxypyridine-2,5-diamine
CID 63402628
2-N-[1-(dimethylamino)-3-methylbutan-2-yl]-6-propoxypyridine-2,5-diamine
CID 61476370
2-N-cyclopropyl-6-propoxypyridine-2,5-diamine
CID 43260902
6-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]pyridazin-3-amine
CID 106214067
2-N-cyclooctyl-6-propoxypyridine-2,5-diamine
CID 43261055
4-fluoro-2-N-[1-(1H-pyrazol-4-yl)ethyl]benzene-1,2-diamine
CID 106217155
4-chloro-2-N-[1-(1H-pyrazol-4-yl)ethyl]benzene-1,2-diamine
CID 106217068

Frequently Asked Questions

What is the IUPAC name of 6-propoxy-2-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-2,5-diamine?
The IUPAC name of 6-propoxy-2-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-2,5-diamine (CID 106217168) is 6-propoxy-2-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-2,5-diamine.
What is the SMILES notation for 6-propoxy-2-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-2,5-diamine?
The canonical SMILES for 6-propoxy-2-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-2,5-diamine is CCCOc1nc(NC(C)c2cn[nH]c2)ccc1N.
What is the InChIKey of 6-propoxy-2-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-2,5-diamine?
The InChIKey is ATRGKSUTCZZSIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-3-6-19-13-11(14)4-5-12(18-13)17-9(2)10-7-15-16-8-10/h4-5,7-9H,3,6,14H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 6-propoxy-2-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-2,5-diamine?
6-propoxy-2-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-2,5-diamine has a molecular weight of 261.33 g/mol, XLogP of 2.35, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propoxy-2-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-2,5-diamine is sourced from PubChem (CID 106217168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).