N-ethyl-N-methyl-N'-(6-methyl-1H-indazol-5-yl)methanimidamide

C12H16N4 — CID 67447570

IUPACN-ethyl-N-methyl-N'-(6-methyl-1H-indazol-5-yl)methanimidamide
SMILESCCN(C)/C=N/c1cc2cn[nH]c2cc1C
InChIInChI=1S/C12H16N4/c1-4-16(3)8-13-11-6-10-7-14-15-12(10)5-9(11)2/h5-8H,4H2,1-3H3,(H,14,15)/b13-8+
InChIKeyPJHZBGZPVXVWDH-MDWZMJQESA-N
MW216.29 g/mol
LogP2.48
Rot. Bonds3

About N-ethyl-N-methyl-N'-(6-methyl-1H-indazol-5-yl)methanimidamide

N-ethyl-N-methyl-N'-(6-methyl-1H-indazol-5-yl)methanimidamide (PubChem CID 67447570) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is N-ethyl-N-methyl-N'-(6-methyl-1H-indazol-5-yl)methanimidamide.

Molecular Properties

Compound NameN-ethyl-N-methyl-N'-(6-methyl-1H-indazol-5-yl)methanimidamide
PubChem CID67447570
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC NameN-ethyl-N-methyl-N'-(6-methyl-1H-indazol-5-yl)methanimidamide
SMILESCCN(C)/C=N/c1cc2cn[nH]c2cc1C
InChIInChI=1S/C12H16N4/c1-4-16(3)8-13-11-6-10-7-14-15-12(10)5-9(11)2/h5-8H,4H2,1-3H3,(H,14,15)/b13-8+
InChIKeyPJHZBGZPVXVWDH-MDWZMJQESA-N
XLogP2.48
TPSA44.28 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-N'-(6-methyl-1H-indazol-5-yl)methanimidamide?
The IUPAC name of N-ethyl-N-methyl-N'-(6-methyl-1H-indazol-5-yl)methanimidamide (CID 67447570) is N-ethyl-N-methyl-N'-(6-methyl-1H-indazol-5-yl)methanimidamide.
What is the SMILES notation for N-ethyl-N-methyl-N'-(6-methyl-1H-indazol-5-yl)methanimidamide?
The canonical SMILES for N-ethyl-N-methyl-N'-(6-methyl-1H-indazol-5-yl)methanimidamide is CCN(C)/C=N/c1cc2cn[nH]c2cc1C.
What is the InChIKey of N-ethyl-N-methyl-N'-(6-methyl-1H-indazol-5-yl)methanimidamide?
The InChIKey is PJHZBGZPVXVWDH-MDWZMJQESA-N. The full InChI is InChI=1S/C12H16N4/c1-4-16(3)8-13-11-6-10-7-14-15-12(10)5-9(11)2/h5-8H,4H2,1-3H3,(H,14,15)/b13-8+.
What are the key properties of N-ethyl-N-methyl-N'-(6-methyl-1H-indazol-5-yl)methanimidamide?
N-ethyl-N-methyl-N'-(6-methyl-1H-indazol-5-yl)methanimidamide has a molecular weight of 216.29 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-N'-(6-methyl-1H-indazol-5-yl)methanimidamide is sourced from PubChem (CID 67447570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).