acetonitrile;dioxomanganese;2-pyridin-3-yl-3,4-dihydropyrazol-5-amine;1-pyridin-3-ylpyrazol-3-amine

C18H21MnN9O2 — CID 162030744

IUPACacetonitrile;dioxomanganese;2-pyridin-3-yl-3,4-dihydropyrazol-5-amine;1-pyridin-3-ylpyrazol-3-amine
SMILESCC#N.NC1=NN(c2cccnc2)CC1.Nc1ccn(-c2cccnc2)n1.O=[Mn]=O
InChIInChI=1S/C8H10N4.C8H8N4.C2H3N.Mn.2O/c2*9-8-3-5-12(11-8)7-2-1-4-10-6-7;1-2-3;;;/h1-2,4,6H,3,5H2,(H2,9,11);1-6H,(H2,9,11);1H3;;;
InChIKeyXQDXAGYKERKHPW-UHFFFAOYSA-N
MW450.37 g/mol
LogP1.70
Rot. Bonds2

About acetonitrile;dioxomanganese;2-pyridin-3-yl-3,4-dihydropyrazol-5-amine;1-pyridin-3-ylpyrazol-3-amine

acetonitrile;dioxomanganese;2-pyridin-3-yl-3,4-dihydropyrazol-5-amine;1-pyridin-3-ylpyrazol-3-amine (PubChem CID 162030744) has the molecular formula C18H21MnN9O2 and a molecular weight of 450.37 g/mol. Its IUPAC name is acetonitrile;dioxomanganese;2-pyridin-3-yl-3,4-dihydropyrazol-5-amine;1-pyridin-3-ylpyrazol-3-amine.

Molecular Properties

Compound Nameacetonitrile;dioxomanganese;2-pyridin-3-yl-3,4-dihydropyrazol-5-amine;1-pyridin-3-ylpyrazol-3-amine
PubChem CID162030744
Molecular FormulaC18H21MnN9O2
Molecular Weight450.37 g/mol
Exact Mass450.12
IUPAC Nameacetonitrile;dioxomanganese;2-pyridin-3-yl-3,4-dihydropyrazol-5-amine;1-pyridin-3-ylpyrazol-3-amine
SMILESCC#N.NC1=NN(c2cccnc2)CC1.Nc1ccn(-c2cccnc2)n1.O=[Mn]=O
InChIInChI=1S/C8H10N4.C8H8N4.C2H3N.Mn.2O/c2*9-8-3-5-12(11-8)7-2-1-4-10-6-7;1-2-3;;;/h1-2,4,6H,3,5H2,(H2,9,11);1-6H,(H2,9,11);1H3;;;
InChIKeyXQDXAGYKERKHPW-UHFFFAOYSA-N
XLogP1.70
TPSA169.17 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.37
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze acetonitrile;dioxomanganese;2-pyridin-3-yl-3,4-dihydropyrazol-5-amine;1-pyridin-3-ylpyrazol-3-amine with MolForge

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Related Compounds

1-Methyl-4-(pyridin-4-yldiazenyl)pyrazole-3,5-diamine
CID 136961394
(Z)-3-methyl-1-phenyl-4-(2-(pyridin-3-yl)hydrazono)-1H-pyrazol-5(4H)-imine
CID 1536762
1-[(pyridin-2-yl)methyl]-1H-pyrazol-3-amine
CID 47002770
1-(pyridin-4-yl)-1H-pyrazol-3-amine
CID 54078236
N-[(2-tert-butyltetrazol-5-yl)methyl]-4-pyrazol-1-ylpyridin-3-amine
CID 136551909
2-[3-[(2S)-2-(fluoromethyl)pyrrolidin-1-yl]-1-pyridin-3-ylpyrazol-5-yl]-5-methylpyrazine
CID 71205992
(2Z,4Z)-5-[3-(4,4-difluoropiperidin-1-yl)-1-pyridin-3-ylpyrazol-5-yl]-5-(methylideneamino)penta-2,4-dien-2-amine
CID 89370811
1-(2,5-Difluoro-3-pyridinyl)pyrazol-3-amine
CID 90095717
1-(2,5-Difluoro-6-methyl-3-pyridinyl)pyrazol-3-amine
CID 90096199
1-(5-Fluoro-3-pyridinyl)pyrazol-3-amine
CID 130497134
5-(3-Aminopyrazol-1-yl)-3-fluoropyridin-2-amine
CID 134596109
1-[6-(Fluoromethyl)-3-pyridinyl]pyrazol-3-amine
CID 135232789

Frequently Asked Questions

What is the IUPAC name of acetonitrile;dioxomanganese;2-pyridin-3-yl-3,4-dihydropyrazol-5-amine;1-pyridin-3-ylpyrazol-3-amine?
The IUPAC name of acetonitrile;dioxomanganese;2-pyridin-3-yl-3,4-dihydropyrazol-5-amine;1-pyridin-3-ylpyrazol-3-amine (CID 162030744) is acetonitrile;dioxomanganese;2-pyridin-3-yl-3,4-dihydropyrazol-5-amine;1-pyridin-3-ylpyrazol-3-amine.
What is the SMILES notation for acetonitrile;dioxomanganese;2-pyridin-3-yl-3,4-dihydropyrazol-5-amine;1-pyridin-3-ylpyrazol-3-amine?
The canonical SMILES for acetonitrile;dioxomanganese;2-pyridin-3-yl-3,4-dihydropyrazol-5-amine;1-pyridin-3-ylpyrazol-3-amine is CC#N.NC1=NN(c2cccnc2)CC1.Nc1ccn(-c2cccnc2)n1.O=[Mn]=O.
What is the InChIKey of acetonitrile;dioxomanganese;2-pyridin-3-yl-3,4-dihydropyrazol-5-amine;1-pyridin-3-ylpyrazol-3-amine?
The InChIKey is XQDXAGYKERKHPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4.C8H8N4.C2H3N.Mn.2O/c2*9-8-3-5-12(11-8)7-2-1-4-10-6-7;1-2-3;;;/h1-2,4,6H,3,5H2,(H2,9,11);1-6H,(H2,9,11);1H3;;;.
What are the key properties of acetonitrile;dioxomanganese;2-pyridin-3-yl-3,4-dihydropyrazol-5-amine;1-pyridin-3-ylpyrazol-3-amine?
acetonitrile;dioxomanganese;2-pyridin-3-yl-3,4-dihydropyrazol-5-amine;1-pyridin-3-ylpyrazol-3-amine has a molecular weight of 450.37 g/mol, XLogP of 1.70, 2 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for acetonitrile;dioxomanganese;2-pyridin-3-yl-3,4-dihydropyrazol-5-amine;1-pyridin-3-ylpyrazol-3-amine is sourced from PubChem (CID 162030744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).