(NZ)-N-[1-[(6-chloro-3-pyridinyl)methyl]-5-methyl-3-prop-2-enyl-1,3,5-triazinan-2-ylidene]nitramide

C13H17ClN6O2 — CID 22450907

IUPAC(NZ)-N-[1-[(6-chloro-3-pyridinyl)methyl]-5-methyl-3-prop-2-enyl-1,3,5-triazinan-2-ylidene]nitramide
SMILESC=CCN1CN(C)CN(Cc2ccc(Cl)nc2)/C1=N\[N+](=O)[O-]
InChIInChI=1S/C13H17ClN6O2/c1-3-6-18-9-17(2)10-19(13(18)16-20(21)22)8-11-4-5-12(14)15-7-11/h3-5,7H,1,6,8-10H2,2H3/b16-13-
InChIKeyJXAMBRHNGZYUFO-SSZFMOIBSA-N
MW324.77 g/mol
LogP1.43
Rot. Bonds5

About (NZ)-N-[1-[(6-chloro-3-pyridinyl)methyl]-5-methyl-3-prop-2-enyl-1,3,5-triazinan-2-ylidene]nitramide

(NZ)-N-[1-[(6-chloro-3-pyridinyl)methyl]-5-methyl-3-prop-2-enyl-1,3,5-triazinan-2-ylidene]nitramide (PubChem CID 22450907) has the molecular formula C13H17ClN6O2 and a molecular weight of 324.77 g/mol. Its IUPAC name is (NZ)-N-[1-[(6-chloro-3-pyridinyl)methyl]-5-methyl-3-prop-2-enyl-1,3,5-triazinan-2-ylidene]nitramide.

Molecular Properties

Compound Name(NZ)-N-[1-[(6-chloro-3-pyridinyl)methyl]-5-methyl-3-prop-2-enyl-1,3,5-triazinan-2-ylidene]nitramide
PubChem CID22450907
Molecular FormulaC13H17ClN6O2
Molecular Weight324.77 g/mol
Exact Mass324.11
IUPAC Name(NZ)-N-[1-[(6-chloro-3-pyridinyl)methyl]-5-methyl-3-prop-2-enyl-1,3,5-triazinan-2-ylidene]nitramide
SMILESC=CCN1CN(C)CN(Cc2ccc(Cl)nc2)/C1=N\[N+](=O)[O-]
InChIInChI=1S/C13H17ClN6O2/c1-3-6-18-9-17(2)10-19(13(18)16-20(21)22)8-11-4-5-12(14)15-7-11/h3-5,7H,1,6,8-10H2,2H3/b16-13-
InChIKeyJXAMBRHNGZYUFO-SSZFMOIBSA-N
XLogP1.43
TPSA78.11 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.77
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', 'substructure': 'N/A'}

Analyze (NZ)-N-[1-[(6-chloro-3-pyridinyl)methyl]-5-methyl-3-prop-2-enyl-1,3,5-triazinan-2-ylidene]nitramide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[1-[(6-chloro-3-pyridinyl)methyl]-5-methyl-3-prop-2-enyl-1,3,5-triazinan-2-ylidene]nitramide?
The IUPAC name of (NZ)-N-[1-[(6-chloro-3-pyridinyl)methyl]-5-methyl-3-prop-2-enyl-1,3,5-triazinan-2-ylidene]nitramide (CID 22450907) is (NZ)-N-[1-[(6-chloro-3-pyridinyl)methyl]-5-methyl-3-prop-2-enyl-1,3,5-triazinan-2-ylidene]nitramide.
What is the SMILES notation for (NZ)-N-[1-[(6-chloro-3-pyridinyl)methyl]-5-methyl-3-prop-2-enyl-1,3,5-triazinan-2-ylidene]nitramide?
The canonical SMILES for (NZ)-N-[1-[(6-chloro-3-pyridinyl)methyl]-5-methyl-3-prop-2-enyl-1,3,5-triazinan-2-ylidene]nitramide is C=CCN1CN(C)CN(Cc2ccc(Cl)nc2)/C1=N\[N+](=O)[O-].
What is the InChIKey of (NZ)-N-[1-[(6-chloro-3-pyridinyl)methyl]-5-methyl-3-prop-2-enyl-1,3,5-triazinan-2-ylidene]nitramide?
The InChIKey is JXAMBRHNGZYUFO-SSZFMOIBSA-N. The full InChI is InChI=1S/C13H17ClN6O2/c1-3-6-18-9-17(2)10-19(13(18)16-20(21)22)8-11-4-5-12(14)15-7-11/h3-5,7H,1,6,8-10H2,2H3/b16-13-.
What are the key properties of (NZ)-N-[1-[(6-chloro-3-pyridinyl)methyl]-5-methyl-3-prop-2-enyl-1,3,5-triazinan-2-ylidene]nitramide?
(NZ)-N-[1-[(6-chloro-3-pyridinyl)methyl]-5-methyl-3-prop-2-enyl-1,3,5-triazinan-2-ylidene]nitramide has a molecular weight of 324.77 g/mol, XLogP of 1.43, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[1-[(6-chloro-3-pyridinyl)methyl]-5-methyl-3-prop-2-enyl-1,3,5-triazinan-2-ylidene]nitramide is sourced from PubChem (CID 22450907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).