(Z)-1-[2-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]hydrazinyl]-2-nitro-N-(oxolan-2-ylmethyl)ethenamine

C14H18F3N5O3 — CID 142086893

IUPAC(Z)-1-[2-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]hydrazinyl]-2-nitro-N-(oxolan-2-ylmethyl)ethenamine
SMILESCc1cc(C(F)(F)F)cc(NN/C(=C\[N+](=O)[O-])NCC2CCCO2)n1
InChIInChI=1S/C14H18F3N5O3/c1-9-5-10(14(15,16)17)6-12(19-9)20-21-13(8-22(23)24)18-7-11-3-2-4-25-11/h5-6,8,11,18,21H,2-4,7H2,1H3,(H,19,20)/b13-8-
InChIKeyJXPQLEAZBDPSBY-JYRVWZFOSA-N
MW361.32 g/mol
LogP2.17
Rot. Bonds7

About (Z)-1-[2-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]hydrazinyl]-2-nitro-N-(oxolan-2-ylmethyl)ethenamine

(Z)-1-[2-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]hydrazinyl]-2-nitro-N-(oxolan-2-ylmethyl)ethenamine (PubChem CID 142086893) has the molecular formula C14H18F3N5O3 and a molecular weight of 361.32 g/mol. Its IUPAC name is (Z)-1-[2-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]hydrazinyl]-2-nitro-N-(oxolan-2-ylmethyl)ethenamine.

Molecular Properties

Compound Name(Z)-1-[2-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]hydrazinyl]-2-nitro-N-(oxolan-2-ylmethyl)ethenamine
PubChem CID142086893
Molecular FormulaC14H18F3N5O3
Molecular Weight361.32 g/mol
Exact Mass361.14
IUPAC Name(Z)-1-[2-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]hydrazinyl]-2-nitro-N-(oxolan-2-ylmethyl)ethenamine
SMILESCc1cc(C(F)(F)F)cc(NN/C(=C\[N+](=O)[O-])NCC2CCCO2)n1
InChIInChI=1S/C14H18F3N5O3/c1-9-5-10(14(15,16)17)6-12(19-9)20-21-13(8-22(23)24)18-7-11-3-2-4-25-11/h5-6,8,11,18,21H,2-4,7H2,1H3,(H,19,20)/b13-8-
InChIKeyJXPQLEAZBDPSBY-JYRVWZFOSA-N
XLogP2.17
TPSA101.35 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.32
LogP ≤ 52.17
H-Bond Donors ≤ 53
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 (Z)-1-[2-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]hydrazinyl]-2-nitro-N-(oxolan-2-ylmethyl)ethenamine?
The IUPAC name of (Z)-1-[2-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]hydrazinyl]-2-nitro-N-(oxolan-2-ylmethyl)ethenamine (CID 142086893) is (Z)-1-[2-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]hydrazinyl]-2-nitro-N-(oxolan-2-ylmethyl)ethenamine.
What is the SMILES notation for (Z)-1-[2-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]hydrazinyl]-2-nitro-N-(oxolan-2-ylmethyl)ethenamine?
The canonical SMILES for (Z)-1-[2-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]hydrazinyl]-2-nitro-N-(oxolan-2-ylmethyl)ethenamine is Cc1cc(C(F)(F)F)cc(NN/C(=C\[N+](=O)[O-])NCC2CCCO2)n1.
What is the InChIKey of (Z)-1-[2-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]hydrazinyl]-2-nitro-N-(oxolan-2-ylmethyl)ethenamine?
The InChIKey is JXPQLEAZBDPSBY-JYRVWZFOSA-N. The full InChI is InChI=1S/C14H18F3N5O3/c1-9-5-10(14(15,16)17)6-12(19-9)20-21-13(8-22(23)24)18-7-11-3-2-4-25-11/h5-6,8,11,18,21H,2-4,7H2,1H3,(H,19,20)/b13-8-.
What are the key properties of (Z)-1-[2-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]hydrazinyl]-2-nitro-N-(oxolan-2-ylmethyl)ethenamine?
(Z)-1-[2-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]hydrazinyl]-2-nitro-N-(oxolan-2-ylmethyl)ethenamine has a molecular weight of 361.32 g/mol, XLogP of 2.17, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[2-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]hydrazinyl]-2-nitro-N-(oxolan-2-ylmethyl)ethenamine is sourced from PubChem (CID 142086893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).