N'-(1H-indazol-6-ylmethyl)ethanimidamide

C10H12N4 — CID 18356580

IUPACN'-(1H-indazol-6-ylmethyl)ethanimidamide
SMILESC/C(N)=N\Cc1ccc2cn[nH]c2c1
InChIInChI=1S/C10H12N4/c1-7(11)12-5-8-2-3-9-6-13-14-10(9)4-8/h2-4,6H,5H2,1H3,(H2,11,12)(H,13,14)
InChIKeyBVEHJZHNEZZBSA-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.44
Rot. Bonds2

About N'-(1H-indazol-6-ylmethyl)ethanimidamide

N'-(1H-indazol-6-ylmethyl)ethanimidamide (PubChem CID 18356580) has the molecular formula C10H12N4 and a molecular weight of 188.23 g/mol. Its IUPAC name is N'-(1H-indazol-6-ylmethyl)ethanimidamide.

Molecular Properties

Compound NameN'-(1H-indazol-6-ylmethyl)ethanimidamide
PubChem CID18356580
Molecular FormulaC10H12N4
Molecular Weight188.23 g/mol
Exact Mass188.11
IUPAC NameN'-(1H-indazol-6-ylmethyl)ethanimidamide
SMILESC/C(N)=N\Cc1ccc2cn[nH]c2c1
InChIInChI=1S/C10H12N4/c1-7(11)12-5-8-2-3-9-6-13-14-10(9)4-8/h2-4,6H,5H2,1H3,(H2,11,12)(H,13,14)
InChIKeyBVEHJZHNEZZBSA-UHFFFAOYSA-N
XLogP1.44
TPSA67.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.44
H-Bond Donors ≤ 52
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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Related Compounds

2-(1H-indazol-6-ylmethylimino)propanedinitrile
CID 167664068
(2S)-2-amino-3-(1H-indazol-6-yl)propanoic acid
CID 96765286
2-(1H-indazol-6-ylmethylamino)propanamide;hydrochloride
CID 115606981
(2R)-1-(1H-indazol-6-ylmethylamino)propan-2-ol
CID 103884297
(2S)-1-(1H-indazol-6-ylmethylamino)propan-2-ol
CID 103884153
N-(1H-indazol-6-ylmethyl)-3-methylbutan-2-amine
CID 115606919
(3R)-3-(1H-indazol-6-ylmethylamino)butan-1-ol
CID 103854776
N-(1H-indazol-6-ylmethyl)butan-1-amine
CID 62919560
N'-[(6-chloro-3-pyridinyl)methyl]ethanimidamide
CID 22461898
N-(1H-indazol-6-ylmethyl)-1-(2-methylcyclopropyl)methanamine;hydrochloride
CID 115607475
methyl (2R,3S)-3-hydroxy-2-(1H-indazol-6-ylmethylamino)butanoate
CID 99793353
6-(pyridin-3-ylmethyl)-1H-indazole
CID 174925312

Frequently Asked Questions

What is the IUPAC name of N'-(1H-indazol-6-ylmethyl)ethanimidamide?
The IUPAC name of N'-(1H-indazol-6-ylmethyl)ethanimidamide (CID 18356580) is N'-(1H-indazol-6-ylmethyl)ethanimidamide.
What is the SMILES notation for N'-(1H-indazol-6-ylmethyl)ethanimidamide?
The canonical SMILES for N'-(1H-indazol-6-ylmethyl)ethanimidamide is C/C(N)=N\Cc1ccc2cn[nH]c2c1.
What is the InChIKey of N'-(1H-indazol-6-ylmethyl)ethanimidamide?
The InChIKey is BVEHJZHNEZZBSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4/c1-7(11)12-5-8-2-3-9-6-13-14-10(9)4-8/h2-4,6H,5H2,1H3,(H2,11,12)(H,13,14).
What are the key properties of N'-(1H-indazol-6-ylmethyl)ethanimidamide?
N'-(1H-indazol-6-ylmethyl)ethanimidamide has a molecular weight of 188.23 g/mol, XLogP of 1.44, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1H-indazol-6-ylmethyl)ethanimidamide is sourced from PubChem (CID 18356580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).