N-[(Z)-(2,2-dimethylchromen-6-yl)methylideneamino]-5-methyl-[1,2,4]triazino[5,6-b]indol-3-amine

C22H20N6O — CID 10022906

IUPACN-[(Z)-(2,2-dimethylchromen-6-yl)methylideneamino]-5-methyl-[1,2,4]triazino[5,6-b]indol-3-amine
SMILESCn1c2ccccc2c2nnc(N/N=C\c3ccc4c(c3)C=CC(C)(C)O4)nc21
InChIInChI=1S/C22H20N6O/c1-22(2)11-10-15-12-14(8-9-18(15)29-22)13-23-26-21-24-20-19(25-27-21)16-6-4-5-7-17(16)28(20)3/h4-13H,1-3H3,(H,24,26,27)/b23-13-
InChIKeyUDGFHNOJVUGIIE-QRVIBDJDSA-N
MW384.44 g/mol
LogP4.15
Rot. Bonds3

About N-[(Z)-(2,2-dimethylchromen-6-yl)methylideneamino]-5-methyl-[1,2,4]triazino[5,6-b]indol-3-amine

N-[(Z)-(2,2-dimethylchromen-6-yl)methylideneamino]-5-methyl-[1,2,4]triazino[5,6-b]indol-3-amine (PubChem CID 10022906) has the molecular formula C22H20N6O and a molecular weight of 384.44 g/mol. Its IUPAC name is N-[(Z)-(2,2-dimethylchromen-6-yl)methylideneamino]-5-methyl-[1,2,4]triazino[5,6-b]indol-3-amine.

Molecular Properties

Compound NameN-[(Z)-(2,2-dimethylchromen-6-yl)methylideneamino]-5-methyl-[1,2,4]triazino[5,6-b]indol-3-amine
PubChem CID10022906
Molecular FormulaC22H20N6O
Molecular Weight384.44 g/mol
Exact Mass384.17
IUPAC NameN-[(Z)-(2,2-dimethylchromen-6-yl)methylideneamino]-5-methyl-[1,2,4]triazino[5,6-b]indol-3-amine
SMILESCn1c2ccccc2c2nnc(N/N=C\c3ccc4c(c3)C=CC(C)(C)O4)nc21
InChIInChI=1S/C22H20N6O/c1-22(2)11-10-15-12-14(8-9-18(15)29-22)13-23-26-21-24-20-19(25-27-21)16-6-4-5-7-17(16)28(20)3/h4-13H,1-3H3,(H,24,26,27)/b23-13-
InChIKeyUDGFHNOJVUGIIE-QRVIBDJDSA-N
XLogP4.15
TPSA77.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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-[(Z)-(2,2-dimethylchromen-6-yl)methylideneamino]-5-methyl-[1,2,4]triazino[5,6-b]indol-3-amine?
The IUPAC name of N-[(Z)-(2,2-dimethylchromen-6-yl)methylideneamino]-5-methyl-[1,2,4]triazino[5,6-b]indol-3-amine (CID 10022906) is N-[(Z)-(2,2-dimethylchromen-6-yl)methylideneamino]-5-methyl-[1,2,4]triazino[5,6-b]indol-3-amine.
What is the SMILES notation for N-[(Z)-(2,2-dimethylchromen-6-yl)methylideneamino]-5-methyl-[1,2,4]triazino[5,6-b]indol-3-amine?
The canonical SMILES for N-[(Z)-(2,2-dimethylchromen-6-yl)methylideneamino]-5-methyl-[1,2,4]triazino[5,6-b]indol-3-amine is Cn1c2ccccc2c2nnc(N/N=C\c3ccc4c(c3)C=CC(C)(C)O4)nc21.
What is the InChIKey of N-[(Z)-(2,2-dimethylchromen-6-yl)methylideneamino]-5-methyl-[1,2,4]triazino[5,6-b]indol-3-amine?
The InChIKey is UDGFHNOJVUGIIE-QRVIBDJDSA-N. The full InChI is InChI=1S/C22H20N6O/c1-22(2)11-10-15-12-14(8-9-18(15)29-22)13-23-26-21-24-20-19(25-27-21)16-6-4-5-7-17(16)28(20)3/h4-13H,1-3H3,(H,24,26,27)/b23-13-.
What are the key properties of N-[(Z)-(2,2-dimethylchromen-6-yl)methylideneamino]-5-methyl-[1,2,4]triazino[5,6-b]indol-3-amine?
N-[(Z)-(2,2-dimethylchromen-6-yl)methylideneamino]-5-methyl-[1,2,4]triazino[5,6-b]indol-3-amine has a molecular weight of 384.44 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2,2-dimethylchromen-6-yl)methylideneamino]-5-methyl-[1,2,4]triazino[5,6-b]indol-3-amine is sourced from PubChem (CID 10022906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).