N-(1H-indazol-6-ylmethyl)-1-(2-methylcyclopropyl)methanamine;hydrochloride

C13H18ClN3 — CID 115607475

IUPACN-(1H-indazol-6-ylmethyl)-1-(2-methylcyclopropyl)methanamine;hydrochloride
SMILESCC1CC1CNCc1ccc2cn[nH]c2c1.Cl
InChIInChI=1S/C13H17N3.ClH/c1-9-4-12(9)7-14-6-10-2-3-11-8-15-16-13(11)5-10;/h2-3,5,8-9,12,14H,4,6-7H2,1H3,(H,15,16);1H
InChIKeyCDIGOCHCSNCPDR-UHFFFAOYSA-N
MW251.76 g/mol
LogP2.73
Rot. Bonds4

About N-(1H-indazol-6-ylmethyl)-1-(2-methylcyclopropyl)methanamine;hydrochloride

N-(1H-indazol-6-ylmethyl)-1-(2-methylcyclopropyl)methanamine;hydrochloride (PubChem CID 115607475) has the molecular formula C13H18ClN3 and a molecular weight of 251.76 g/mol. Its IUPAC name is N-(1H-indazol-6-ylmethyl)-1-(2-methylcyclopropyl)methanamine;hydrochloride.

Molecular Properties

Compound NameN-(1H-indazol-6-ylmethyl)-1-(2-methylcyclopropyl)methanamine;hydrochloride
PubChem CID115607475
Molecular FormulaC13H18ClN3
Molecular Weight251.76 g/mol
Exact Mass251.12
IUPAC NameN-(1H-indazol-6-ylmethyl)-1-(2-methylcyclopropyl)methanamine;hydrochloride
SMILESCC1CC1CNCc1ccc2cn[nH]c2c1.Cl
InChIInChI=1S/C13H17N3.ClH/c1-9-4-12(9)7-14-6-10-2-3-11-8-15-16-13(11)5-10;/h2-3,5,8-9,12,14H,4,6-7H2,1H3,(H,15,16);1H
InChIKeyCDIGOCHCSNCPDR-UHFFFAOYSA-N
XLogP2.73
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(1H-indazol-6-ylmethylamino)methyl]pyrrolidin-3-ol
CID 120961737
2-cyclopropyl-N-(1H-indazol-6-ylmethyl)ethanamine
CID 115656450
N-(1H-indazol-6-ylmethyl)-1-[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methanamine
CID 128992092
N-(1H-indazol-6-ylmethyl)-1-[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methanamine
CID 167926332
N-(1H-indazol-6-ylmethyl)butan-1-amine
CID 62919560
(2R)-1-(1H-indazol-6-ylmethylamino)propan-2-ol
CID 103884297
(2S)-1-(1H-indazol-6-ylmethylamino)propan-2-ol
CID 103884153
1-(1H-indazol-6-ylmethylamino)-2-methylpropan-2-ol
CID 115621594
N-(1H-indazol-6-ylmethyl)pentan-3-amine;hydrochloride
CID 115606796
N-(1H-indazol-6-ylmethyl)-2-methylsulfinylethanamine
CID 115632496
N-[3-(1H-indazol-6-ylmethylamino)propyl]methanesulfonamide
CID 119109884
N-(1H-indazol-6-ylmethyl)-2,2,6,6-tetramethylpiperidin-4-amine
CID 119114803

Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-6-ylmethyl)-1-(2-methylcyclopropyl)methanamine;hydrochloride?
The IUPAC name of N-(1H-indazol-6-ylmethyl)-1-(2-methylcyclopropyl)methanamine;hydrochloride (CID 115607475) is N-(1H-indazol-6-ylmethyl)-1-(2-methylcyclopropyl)methanamine;hydrochloride.
What is the SMILES notation for N-(1H-indazol-6-ylmethyl)-1-(2-methylcyclopropyl)methanamine;hydrochloride?
The canonical SMILES for N-(1H-indazol-6-ylmethyl)-1-(2-methylcyclopropyl)methanamine;hydrochloride is CC1CC1CNCc1ccc2cn[nH]c2c1.Cl.
What is the InChIKey of N-(1H-indazol-6-ylmethyl)-1-(2-methylcyclopropyl)methanamine;hydrochloride?
The InChIKey is CDIGOCHCSNCPDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3.ClH/c1-9-4-12(9)7-14-6-10-2-3-11-8-15-16-13(11)5-10;/h2-3,5,8-9,12,14H,4,6-7H2,1H3,(H,15,16);1H.
What are the key properties of N-(1H-indazol-6-ylmethyl)-1-(2-methylcyclopropyl)methanamine;hydrochloride?
N-(1H-indazol-6-ylmethyl)-1-(2-methylcyclopropyl)methanamine;hydrochloride has a molecular weight of 251.76 g/mol, XLogP of 2.73, 4 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)-1-(2-methylcyclopropyl)methanamine;hydrochloride is sourced from PubChem (CID 115607475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).