N,N-dimethyl-N'-(4-methyl-3-nitro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine

C14H20N6O2 — CID 133306766

IUPACN,N-dimethyl-N'-(4-methyl-3-nitro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
SMILESCc1ccnc(NCC(c2cnn(C)c2)N(C)C)c1[N+](=O)[O-]
InChIInChI=1S/C14H20N6O2/c1-10-5-6-15-14(13(10)20(21)22)16-8-12(18(2)3)11-7-17-19(4)9-11/h5-7,9,12H,8H2,1-4H3,(H,15,16)
InChIKeyQITTZVUKTKAGIC-UHFFFAOYSA-N
MW304.35 g/mol
LogP1.75
Rot. Bonds6

About N,N-dimethyl-N'-(4-methyl-3-nitro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine

N,N-dimethyl-N'-(4-methyl-3-nitro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine (PubChem CID 133306766) has the molecular formula C14H20N6O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is N,N-dimethyl-N'-(4-methyl-3-nitro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN,N-dimethyl-N'-(4-methyl-3-nitro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
PubChem CID133306766
Molecular FormulaC14H20N6O2
Molecular Weight304.35 g/mol
Exact Mass304.16
IUPAC NameN,N-dimethyl-N'-(4-methyl-3-nitro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
SMILESCc1ccnc(NCC(c2cnn(C)c2)N(C)C)c1[N+](=O)[O-]
InChIInChI=1S/C14H20N6O2/c1-10-5-6-15-14(13(10)20(21)22)16-8-12(18(2)3)11-7-17-19(4)9-11/h5-7,9,12H,8H2,1-4H3,(H,15,16)
InChIKeyQITTZVUKTKAGIC-UHFFFAOYSA-N
XLogP1.75
TPSA89.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-N'-(4-methyl-3-nitro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine?
The IUPAC name of N,N-dimethyl-N'-(4-methyl-3-nitro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine (CID 133306766) is N,N-dimethyl-N'-(4-methyl-3-nitro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N,N-dimethyl-N'-(4-methyl-3-nitro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine?
The canonical SMILES for N,N-dimethyl-N'-(4-methyl-3-nitro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine is Cc1ccnc(NCC(c2cnn(C)c2)N(C)C)c1[N+](=O)[O-].
What is the InChIKey of N,N-dimethyl-N'-(4-methyl-3-nitro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine?
The InChIKey is QITTZVUKTKAGIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O2/c1-10-5-6-15-14(13(10)20(21)22)16-8-12(18(2)3)11-7-17-19(4)9-11/h5-7,9,12H,8H2,1-4H3,(H,15,16).
What are the key properties of N,N-dimethyl-N'-(4-methyl-3-nitro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine?
N,N-dimethyl-N'-(4-methyl-3-nitro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine has a molecular weight of 304.35 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-N'-(4-methyl-3-nitro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 133306766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).