[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea

C9H12N6O — CID 123871133

IUPAC[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
SMILESCCNc1n[nH]c2cc(NC(N)=O)ncc12
InChIInChI=1S/C9H12N6O/c1-2-11-8-5-4-12-7(13-9(10)16)3-6(5)14-15-8/h3-4H,2H2,1H3,(H2,11,14,15)(H3,10,12,13,16)
InChIKeyXYZVAXSSRKRJQA-UHFFFAOYSA-N
MW220.24 g/mol
LogP0.88
Rot. Bonds3

About [3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea

[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea (PubChem CID 123871133) has the molecular formula C9H12N6O and a molecular weight of 220.24 g/mol. Its IUPAC name is [3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea.

Molecular Properties

Compound Name[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
PubChem CID123871133
Molecular FormulaC9H12N6O
Molecular Weight220.24 g/mol
Exact Mass220.11
IUPAC Name[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
SMILESCCNc1n[nH]c2cc(NC(N)=O)ncc12
InChIInChI=1S/C9H12N6O/c1-2-11-8-5-4-12-7(13-9(10)16)3-6(5)14-15-8/h3-4H,2H2,1H3,(H2,11,14,15)(H3,10,12,13,16)
InChIKeyXYZVAXSSRKRJQA-UHFFFAOYSA-N
XLogP0.88
TPSA108.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.24
LogP ≤ 50.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopentyl-3-[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
CID 123393870
1-[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(2-methylsulfanylethyl)urea
CID 135293268
methyl 2-[[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]carbamoylamino]-2-phenylacetate
CID 118272221
1-[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[1-(4-methyl-2-pyridinyl)ethyl]urea
CID 118395378
1-[(1S)-1-cyclohexa-2,4-dien-1-yl-2-methoxyethyl]-3-[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
CID 135293276
1-[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea;1-[3-(ethylamino)-1-tritylpyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea
CID 157271075
1-ethyl-3-[6-(1-phenylethylcarbamoylamino)-1H-pyrazolo[4,3-c]pyridin-3-yl]urea
CID 118271686
(5-ethyl-1H-pyrazol-3-yl)urea
CID 104620406
1-[(1S)-2-methoxy-1-phenylethyl]-3-[3-(2,2,2-trifluoroethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
CID 118381024
ethyl 2-[(6-chloro-1H-pyrazolo[4,3-c]pyridin-3-yl)carbamoyloxy]acetate
CID 176899840
(6-hydroxy-1H-indazol-3-yl)urea
CID 174460689
2,2-difluoroethyl N-[6-[[(1S)-1-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]carbamate
CID 118395281

Frequently Asked Questions

What is the IUPAC name of [3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea?
The IUPAC name of [3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea (CID 123871133) is [3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea.
What is the SMILES notation for [3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea?
The canonical SMILES for [3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea is CCNc1n[nH]c2cc(NC(N)=O)ncc12.
What is the InChIKey of [3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea?
The InChIKey is XYZVAXSSRKRJQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6O/c1-2-11-8-5-4-12-7(13-9(10)16)3-6(5)14-15-8/h3-4H,2H2,1H3,(H2,11,14,15)(H3,10,12,13,16).
What are the key properties of [3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea?
[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea has a molecular weight of 220.24 g/mol, XLogP of 0.88, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea is sourced from PubChem (CID 123871133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).