5-nitro-N-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)pyridin-2-amine

C12H10N6O2 — CID 133439849

IUPAC5-nitro-N-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)pyridin-2-amine
SMILESO=[N+]([O-])c1ccc(NCc2ccnc3ccnn23)nc1
InChIInChI=1S/C12H10N6O2/c19-18(20)10-1-2-11(15-8-10)14-7-9-3-5-13-12-4-6-16-17(9)12/h1-6,8H,7H2,(H,14,15)
InChIKeyCFWMYAQQSUEARL-UHFFFAOYSA-N
MW270.25 g/mol
LogP1.64
Rot. Bonds4

About 5-nitro-N-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)pyridin-2-amine

5-nitro-N-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)pyridin-2-amine (PubChem CID 133439849) has the molecular formula C12H10N6O2 and a molecular weight of 270.25 g/mol. Its IUPAC name is 5-nitro-N-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-nitro-N-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)pyridin-2-amine
PubChem CID133439849
Molecular FormulaC12H10N6O2
Molecular Weight270.25 g/mol
Exact Mass270.09
IUPAC Name5-nitro-N-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)pyridin-2-amine
SMILESO=[N+]([O-])c1ccc(NCc2ccnc3ccnn23)nc1
InChIInChI=1S/C12H10N6O2/c19-18(20)10-1-2-11(15-8-10)14-7-9-3-5-13-12-4-6-16-17(9)12/h1-6,8H,7H2,(H,14,15)
InChIKeyCFWMYAQQSUEARL-UHFFFAOYSA-N
XLogP1.64
TPSA98.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 51.64
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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Related Compounds

2-[[(5-nitro-2-pyridinyl)amino]methyl]pyrimidin-4-amine
CID 133367182
5-nitro-N-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)quinolin-8-amine
CID 133439900
N-(2,2-dimethylpropyl)-5-nitropyridin-2-amine
CID 59380857
5-nitro-N-[(1-phenylpyrazol-4-yl)methyl]pyridin-2-amine
CID 16605810
N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-nitropyridin-2-amine
CID 47406157
N'-(5-nitro-2-pyridinyl)ethane-1,2-diamine;trihydrochloride
CID 141018206
N'-(5-nitro-2-pyridinyl)ethane-1,2-diamine;hydrochloride
CID 141044426
2-[(5-nitro-2-pyridinyl)amino]acetic acid
CID 3798682
2-[2-[[(5-nitro-2-pyridinyl)amino]methyl]phenyl]acetic acid
CID 81311809
5-nitro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridin-2-amine
CID 78990691
5-nitro-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-amine
CID 133275091
5-nitro-N-[(2-piperidin-1-ylphenyl)methyl]pyridin-2-amine
CID 133439624

Frequently Asked Questions

What is the IUPAC name of 5-nitro-N-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)pyridin-2-amine?
The IUPAC name of 5-nitro-N-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)pyridin-2-amine (CID 133439849) is 5-nitro-N-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 5-nitro-N-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)pyridin-2-amine?
The canonical SMILES for 5-nitro-N-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)pyridin-2-amine is O=[N+]([O-])c1ccc(NCc2ccnc3ccnn23)nc1.
What is the InChIKey of 5-nitro-N-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)pyridin-2-amine?
The InChIKey is CFWMYAQQSUEARL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N6O2/c19-18(20)10-1-2-11(15-8-10)14-7-9-3-5-13-12-4-6-16-17(9)12/h1-6,8H,7H2,(H,14,15).
What are the key properties of 5-nitro-N-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)pyridin-2-amine?
5-nitro-N-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)pyridin-2-amine has a molecular weight of 270.25 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-N-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 133439849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).