(4-amino-1-methylspiro[6,7-dihydroindazole-5,1'-cyclopropane]-4-yl)methanol

C11H17N3O — CID 112716062

IUPAC(4-amino-1-methylspiro[6,7-dihydroindazole-5,1'-cyclopropane]-4-yl)methanol
SMILESCn1ncc2c1CCC1(CC1)C2(N)CO
InChIInChI=1S/C11H17N3O/c1-14-9-2-3-10(4-5-10)11(12,7-15)8(9)6-13-14/h6,15H,2-5,7,12H2,1H3
InChIKeyPGNNKBXTMZKHIA-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.29
Rot. Bonds1

About (4-amino-1-methylspiro[6,7-dihydroindazole-5,1'-cyclopropane]-4-yl)methanol

(4-amino-1-methylspiro[6,7-dihydroindazole-5,1'-cyclopropane]-4-yl)methanol (PubChem CID 112716062) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is (4-amino-1-methylspiro[6,7-dihydroindazole-5,1'-cyclopropane]-4-yl)methanol.

Molecular Properties

Compound Name(4-amino-1-methylspiro[6,7-dihydroindazole-5,1'-cyclopropane]-4-yl)methanol
PubChem CID112716062
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name(4-amino-1-methylspiro[6,7-dihydroindazole-5,1'-cyclopropane]-4-yl)methanol
SMILESCn1ncc2c1CCC1(CC1)C2(N)CO
InChIInChI=1S/C11H17N3O/c1-14-9-2-3-10(4-5-10)11(12,7-15)8(9)6-13-14/h6,15H,2-5,7,12H2,1H3
InChIKeyPGNNKBXTMZKHIA-UHFFFAOYSA-N
XLogP0.29
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1-methyl-4,5,6,7-tetrahydro-1H-indazol-7-yl)methanol
CID 178199937
[(5R,6S)-5-[(3aS,4R,5S,7aS)-4-(aminomethyl)-7a-methyl-1-methylidene-3,3a,4,5,6,7-hexahydro-2H-inden-5-yl]-1,5-dimethyl-6,7-dihydro-4H-indazol-6-yl]methanol
CID 139561078
[(5R,6S)-5-[4-(aminomethyl)-1,7a-dimethyl-1,2,3,3a,4,5,6,7-octahydroinden-5-yl]-1-(2,2-dimethylpropyl)-5-methyl-6,7-dihydro-4H-indazol-6-yl]methanol
CID 139561455
[(5R,6S)-5-[(3aS,4R,5S,7aS)-4-(aminomethyl)-7a-methyl-1-methylidene-3,3a,4,5,6,7-hexahydro-2H-inden-5-yl]-2-(2,2-dimethylpropyl)-5-methyl-6,7-dihydro-4H-indazol-6-yl]methanol
CID 139561681
[(5S,6S)-5-[(3aS,4S,5S,7aS)-4-(aminomethyl)-7a-methyl-1-methylidene-3,3a,4,5,6,7-hexahydro-2H-inden-5-yl]-2-tert-butyl-5-methyl-6,7-dihydro-4H-indazol-6-yl]methanol
CID 139561915
[(5R,6S)-5-[(3aS,4R,5S,7aS)-4-(aminomethyl)-7a-methyl-1-methylidene-3,3a,4,5,6,7-hexahydro-2H-inden-5-yl]-2-tert-butyl-5-methyl-6,7-dihydro-4H-indazol-6-yl]methanol
CID 156390723
[(5R,6S)-5-[(3aS,4R,5S,7aS)-4-(aminomethyl)-7a-methyl-1-methylidene-3,3a,4,5,6,7-hexahydro-2H-inden-5-yl]-2,5-dimethyl-6,7-dihydro-4H-indazol-6-yl]methanol
CID 156390747
[(5R,6S)-5-[(1S,3aS,4S,5S,7aR)-4-(aminomethyl)-1,7a-dimethyl-1,2,3,3a,4,5,6,7-octahydroinden-5-yl]-1-(2,2-dimethylpropyl)-5-methyl-6,7-dihydro-4H-indazol-6-yl]methanol
CID 156390790
[(5R,6S)-5-[(3aS,4R,5S,7aS)-4-(aminomethyl)-7a-methyl-1-methylidene-3,3a,4,5,6,7-hexahydro-2H-inden-5-yl]-1-(2,2-dimethylpropyl)-5-methyl-6,7-dihydro-4H-indazol-6-yl]methanol
CID 156390791
[(5R,6S)-5-[(3aS,4R,5S,7aS)-4-(aminomethyl)-7a-methyl-1-methylidene-3,3a,4,5,6,7-hexahydro-2H-inden-5-yl]-1-tert-butyl-5-methyl-6,7-dihydro-4H-indazol-6-yl]methanol
CID 156390792
[(5R,6S)-5-[4-(aminomethyl)-7a-methyl-1-methylidene-3,3a,4,5,6,7-hexahydro-2H-inden-5-yl]-1-(2,2-dimethylpropyl)-5-methyl-6,7-dihydro-4H-indazol-6-yl]methanol
CID 156390820
[(5R,6S)-5-[4-(aminomethyl)-7a-methyl-1-methylidene-3,3a,4,5,6,7-hexahydro-2H-inden-5-yl]-1-tert-butyl-5-methyl-6,7-dihydro-4H-indazol-6-yl]methanol
CID 156390844

Frequently Asked Questions

What is the IUPAC name of (4-amino-1-methylspiro[6,7-dihydroindazole-5,1'-cyclopropane]-4-yl)methanol?
The IUPAC name of (4-amino-1-methylspiro[6,7-dihydroindazole-5,1'-cyclopropane]-4-yl)methanol (CID 112716062) is (4-amino-1-methylspiro[6,7-dihydroindazole-5,1'-cyclopropane]-4-yl)methanol.
What is the SMILES notation for (4-amino-1-methylspiro[6,7-dihydroindazole-5,1'-cyclopropane]-4-yl)methanol?
The canonical SMILES for (4-amino-1-methylspiro[6,7-dihydroindazole-5,1'-cyclopropane]-4-yl)methanol is Cn1ncc2c1CCC1(CC1)C2(N)CO.
What is the InChIKey of (4-amino-1-methylspiro[6,7-dihydroindazole-5,1'-cyclopropane]-4-yl)methanol?
The InChIKey is PGNNKBXTMZKHIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-14-9-2-3-10(4-5-10)11(12,7-15)8(9)6-13-14/h6,15H,2-5,7,12H2,1H3.
What are the key properties of (4-amino-1-methylspiro[6,7-dihydroindazole-5,1'-cyclopropane]-4-yl)methanol?
(4-amino-1-methylspiro[6,7-dihydroindazole-5,1'-cyclopropane]-4-yl)methanol has a molecular weight of 207.28 g/mol, XLogP of 0.29, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1-methylspiro[6,7-dihydroindazole-5,1'-cyclopropane]-4-yl)methanol is sourced from PubChem (CID 112716062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).