3-[(4-morpholin-4-yl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-1-pyrrol-1-ylpropan-1-one

C17H20N8O2 — CID 164595905

IUPAC3-[(4-morpholin-4-yl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-1-pyrrol-1-ylpropan-1-one
SMILESO=C(CCNc1nc(N2CCOCC2)nc(-n2cccn2)n1)n1cccc1
InChIInChI=1S/C17H20N8O2/c26-14(23-7-1-2-8-23)4-6-18-15-20-16(24-10-12-27-13-11-24)22-17(21-15)25-9-3-5-19-25/h1-3,5,7-9H,4,6,10-13H2,(H,18,20,21,22)
InChIKeyVWBKZBJSWVPEJI-UHFFFAOYSA-N
MW368.40 g/mol
LogP0.84
Rot. Bonds6

About 3-[(4-morpholin-4-yl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-1-pyrrol-1-ylpropan-1-one

3-[(4-morpholin-4-yl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-1-pyrrol-1-ylpropan-1-one (PubChem CID 164595905) has the molecular formula C17H20N8O2 and a molecular weight of 368.40 g/mol. Its IUPAC name is 3-[(4-morpholin-4-yl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-1-pyrrol-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[(4-morpholin-4-yl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-1-pyrrol-1-ylpropan-1-one
PubChem CID164595905
Molecular FormulaC17H20N8O2
Molecular Weight368.40 g/mol
Exact Mass368.17
IUPAC Name3-[(4-morpholin-4-yl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-1-pyrrol-1-ylpropan-1-one
SMILESO=C(CCNc1nc(N2CCOCC2)nc(-n2cccn2)n1)n1cccc1
InChIInChI=1S/C17H20N8O2/c26-14(23-7-1-2-8-23)4-6-18-15-20-16(24-10-12-27-13-11-24)22-17(21-15)25-9-3-5-19-25/h1-3,5,7-9H,4,6,10-13H2,(H,18,20,21,22)
InChIKeyVWBKZBJSWVPEJI-UHFFFAOYSA-N
XLogP0.84
TPSA102.99 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Launch Full Analysis

Related Compounds

1-[4-(4-morpholin-4-yl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)phenyl]-3-phenylurea
CID 66585720
2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]acetic acid
CID 4767395
N-methyl-3-[[4-(methylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]propanamide
CID 80792732
4-cyclohexyloxy-N-(morpholin-4-ylmethyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 164595853
N-methyl-3-[[4-(2-methylbenzimidazol-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]propanamide
CID 157179491
2-N-(oxan-4-ylmethyl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80846232
4-methyl-1-[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]piperidin-4-ol
CID 81109328
6-pyrazol-1-yl-2-N-(2-pyrrolidin-1-ylethyl)-1,3,5-triazine-2,4-diamine
CID 80832241
2-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]ethanol
CID 80932632
N-methyl-4-(4-methylpiperazin-1-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80767498
2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]benzoic acid
CID 1288339
N-(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)morpholin-4-amine
CID 83027487

Frequently Asked Questions

What is the IUPAC name of 3-[(4-morpholin-4-yl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-1-pyrrol-1-ylpropan-1-one?
The IUPAC name of 3-[(4-morpholin-4-yl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-1-pyrrol-1-ylpropan-1-one (CID 164595905) is 3-[(4-morpholin-4-yl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-1-pyrrol-1-ylpropan-1-one.
What is the SMILES notation for 3-[(4-morpholin-4-yl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-1-pyrrol-1-ylpropan-1-one?
The canonical SMILES for 3-[(4-morpholin-4-yl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-1-pyrrol-1-ylpropan-1-one is O=C(CCNc1nc(N2CCOCC2)nc(-n2cccn2)n1)n1cccc1.
What is the InChIKey of 3-[(4-morpholin-4-yl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-1-pyrrol-1-ylpropan-1-one?
The InChIKey is VWBKZBJSWVPEJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N8O2/c26-14(23-7-1-2-8-23)4-6-18-15-20-16(24-10-12-27-13-11-24)22-17(21-15)25-9-3-5-19-25/h1-3,5,7-9H,4,6,10-13H2,(H,18,20,21,22).
What are the key properties of 3-[(4-morpholin-4-yl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-1-pyrrol-1-ylpropan-1-one?
3-[(4-morpholin-4-yl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-1-pyrrol-1-ylpropan-1-one has a molecular weight of 368.40 g/mol, XLogP of 0.84, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-morpholin-4-yl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-1-pyrrol-1-ylpropan-1-one is sourced from PubChem (CID 164595905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).