6-(4-methylpiperazin-1-yl)-3-nitropyridin-2-amine

C10H15N5O2 — CID 21354525

IUPAC6-(4-methylpiperazin-1-yl)-3-nitropyridin-2-amine
SMILESCN1CCN(c2ccc([N+](=O)[O-])c(N)n2)CC1
InChIInChI=1S/C10H15N5O2/c1-13-4-6-14(7-5-13)9-3-2-8(15(16)17)10(11)12-9/h2-3H,4-7H2,1H3,(H2,11,12)
InChIKeyPDSWRHMCPBRBPJ-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.32
Rot. Bonds2

About 6-(4-methylpiperazin-1-yl)-3-nitropyridin-2-amine

6-(4-methylpiperazin-1-yl)-3-nitropyridin-2-amine (PubChem CID 21354525) has the molecular formula C10H15N5O2 and a molecular weight of 237.26 g/mol. Its IUPAC name is 6-(4-methylpiperazin-1-yl)-3-nitropyridin-2-amine.

Molecular Properties

Compound Name6-(4-methylpiperazin-1-yl)-3-nitropyridin-2-amine
PubChem CID21354525
Molecular FormulaC10H15N5O2
Molecular Weight237.26 g/mol
Exact Mass237.12
IUPAC Name6-(4-methylpiperazin-1-yl)-3-nitropyridin-2-amine
SMILESCN1CCN(c2ccc([N+](=O)[O-])c(N)n2)CC1
InChIInChI=1S/C10H15N5O2/c1-13-4-6-14(7-5-13)9-3-2-8(15(16)17)10(11)12-9/h2-3H,4-7H2,1H3,(H2,11,12)
InChIKeyPDSWRHMCPBRBPJ-UHFFFAOYSA-N
XLogP0.32
TPSA88.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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Related Compounds

CID 77887
CID 77887
CID 96872
CID 96872
CID 97158
CID 97158
CID 81268
CID 81268
CID 77888
CID 77888
CID 3778834
CID 3778834
CID 265883
CID 265883
CID 556349
CID 556349
CID 3146301
CID 3146301
CID 9583478
CID 9583478
CID 2741354
CID 2741354
CID 2803164
CID 2803164

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylpiperazin-1-yl)-3-nitropyridin-2-amine?
The IUPAC name of 6-(4-methylpiperazin-1-yl)-3-nitropyridin-2-amine (CID 21354525) is 6-(4-methylpiperazin-1-yl)-3-nitropyridin-2-amine.
What is the SMILES notation for 6-(4-methylpiperazin-1-yl)-3-nitropyridin-2-amine?
The canonical SMILES for 6-(4-methylpiperazin-1-yl)-3-nitropyridin-2-amine is CN1CCN(c2ccc([N+](=O)[O-])c(N)n2)CC1.
What is the InChIKey of 6-(4-methylpiperazin-1-yl)-3-nitropyridin-2-amine?
The InChIKey is PDSWRHMCPBRBPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O2/c1-13-4-6-14(7-5-13)9-3-2-8(15(16)17)10(11)12-9/h2-3H,4-7H2,1H3,(H2,11,12).
What are the key properties of 6-(4-methylpiperazin-1-yl)-3-nitropyridin-2-amine?
6-(4-methylpiperazin-1-yl)-3-nitropyridin-2-amine has a molecular weight of 237.26 g/mol, XLogP of 0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylpiperazin-1-yl)-3-nitropyridin-2-amine is sourced from PubChem (CID 21354525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).