2-[(1-methylindazol-6-yl)methyl]guanidine;hydrobromide

C10H14BrN5 — CID 154861967

IUPAC2-[(1-methylindazol-6-yl)methyl]guanidine;hydrobromide
SMILESBr.Cn1ncc2ccc(CN=C(N)N)cc21
InChIInChI=1S/C10H13N5.BrH/c1-15-9-4-7(5-13-10(11)12)2-3-8(9)6-14-15;/h2-4,6H,5H2,1H3,(H4,11,12,13);1H
InChIKeyUKDVPYCKILUYDV-UHFFFAOYSA-N
MW284.16 g/mol
LogP0.92
Rot. Bonds2

About 2-[(1-methylindazol-6-yl)methyl]guanidine;hydrobromide

2-[(1-methylindazol-6-yl)methyl]guanidine;hydrobromide (PubChem CID 154861967) has the molecular formula C10H14BrN5 and a molecular weight of 284.16 g/mol. Its IUPAC name is 2-[(1-methylindazol-6-yl)methyl]guanidine;hydrobromide.

Molecular Properties

Compound Name2-[(1-methylindazol-6-yl)methyl]guanidine;hydrobromide
PubChem CID154861967
Molecular FormulaC10H14BrN5
Molecular Weight284.16 g/mol
Exact Mass283.04
IUPAC Name2-[(1-methylindazol-6-yl)methyl]guanidine;hydrobromide
SMILESBr.Cn1ncc2ccc(CN=C(N)N)cc21
InChIInChI=1S/C10H13N5.BrH/c1-15-9-4-7(5-13-10(11)12)2-3-8(9)6-14-15;/h2-4,6H,5H2,1H3,(H4,11,12,13);1H
InChIKeyUKDVPYCKILUYDV-UHFFFAOYSA-N
XLogP0.92
TPSA82.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.16
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

Indanidine
CID 121925
2-Methyl-2H-indazol-6-amine
CID 590220
1-benzyl-1H-indazole
CID 797066
(2S)-1-(6-fluoroindazol-1-yl)propan-2-amine
CID 9859429
1-Methyl-1H-indazole
CID 139456
1-methyl-1H-indazol-5-amine
CID 2768032
6-Methyl-1H-indazole
CID 12639191
(S)-1-(5-Fluoro-1H-indazol-1-yl)propan-2-amine
CID 44452853
1-Phenyl-1H-indazole
CID 304268
1-(4,5-dihydro-1H-imidazol-2-ylmethyl)indazole;hydrochloride
CID 57391903
1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-7-fluoroindazole;hydrochloride
CID 57395354
1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methylindazole;hydrochloride
CID 57397178

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylindazol-6-yl)methyl]guanidine;hydrobromide?
The IUPAC name of 2-[(1-methylindazol-6-yl)methyl]guanidine;hydrobromide (CID 154861967) is 2-[(1-methylindazol-6-yl)methyl]guanidine;hydrobromide.
What is the SMILES notation for 2-[(1-methylindazol-6-yl)methyl]guanidine;hydrobromide?
The canonical SMILES for 2-[(1-methylindazol-6-yl)methyl]guanidine;hydrobromide is Br.Cn1ncc2ccc(CN=C(N)N)cc21.
What is the InChIKey of 2-[(1-methylindazol-6-yl)methyl]guanidine;hydrobromide?
The InChIKey is UKDVPYCKILUYDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5.BrH/c1-15-9-4-7(5-13-10(11)12)2-3-8(9)6-14-15;/h2-4,6H,5H2,1H3,(H4,11,12,13);1H.
What are the key properties of 2-[(1-methylindazol-6-yl)methyl]guanidine;hydrobromide?
2-[(1-methylindazol-6-yl)methyl]guanidine;hydrobromide has a molecular weight of 284.16 g/mol, XLogP of 0.92, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylindazol-6-yl)methyl]guanidine;hydrobromide is sourced from PubChem (CID 154861967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).