4-(aminomethyl)-1-methyl-6,7-dihydro-5H-indazol-4-ol

C9H15N3O — CID 83906522

IUPAC4-(aminomethyl)-1-methyl-6,7-dihydro-5H-indazol-4-ol
SMILESCn1ncc2c1CCCC2(O)CN
InChIInChI=1S/C9H15N3O/c1-12-8-3-2-4-9(13,6-10)7(8)5-11-12/h5,13H,2-4,6,10H2,1H3
InChIKeyCKZMHYDNKYSSBP-UHFFFAOYSA-N
MW181.24 g/mol
LogP-0.10
Rot. Bonds1

About 4-(aminomethyl)-1-methyl-6,7-dihydro-5H-indazol-4-ol

4-(aminomethyl)-1-methyl-6,7-dihydro-5H-indazol-4-ol (PubChem CID 83906522) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 4-(aminomethyl)-1-methyl-6,7-dihydro-5H-indazol-4-ol.

Molecular Properties

Compound Name4-(aminomethyl)-1-methyl-6,7-dihydro-5H-indazol-4-ol
PubChem CID83906522
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name4-(aminomethyl)-1-methyl-6,7-dihydro-5H-indazol-4-ol
SMILESCn1ncc2c1CCCC2(O)CN
InChIInChI=1S/C9H15N3O/c1-12-8-3-2-4-9(13,6-10)7(8)5-11-12/h5,13H,2-4,6,10H2,1H3
InChIKeyCKZMHYDNKYSSBP-UHFFFAOYSA-N
XLogP-0.10
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-4,5,6,7-tetrahydro-1H-indazol-4-ol
CID 13836898
4-(4-amino-3-bromoimidazo[1,5-a]pyrazin-4-ium-1-yl)-1-methyl-6,7-dihydro-5H-indazol-4-ol
CID 71226781
2-Methyl-4,5,6,7-tetrahydroindazol-4-ol
CID 84716480
1-(2-Hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-ol
CID 89208394
4-(3-bromo-4H-imidazo[1,5-a]pyrazin-4-ium-1-yl)-1-methyl-6,7-dihydro-5H-indazol-4-ol chloride
CID 89389266
4-(4H-imidazo[1,5-a]pyrazin-4-ium-1-yl)-1-methyl-6,7-dihydro-5H-indazol-4-ol chloride
CID 89389481
4-(4-amino-3-bromoimidazo[1,5-a]pyrazin-4-ium-1-yl)-1-ethyl-6,7-dihydro-5H-indazol-4-ol
CID 118559025
5-Ethyl-2-methyl-4,5,6,7-tetrahydroindazol-4-ol
CID 129296368
2-Methyl-5-propan-2-yl-4,5,6,7-tetrahydroindazol-4-ol
CID 129296477
5-Ethyl-1-methyl-4,5,6,7-tetrahydroindazol-4-ol
CID 129296486
1-Methyl-5-propan-2-yl-4,5,6,7-tetrahydroindazol-4-ol
CID 129297086
Ethane;5-ethyl-2-methyl-4,5,6,7-tetrahydroindazol-4-ol
CID 145337884

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1-methyl-6,7-dihydro-5H-indazol-4-ol?
The IUPAC name of 4-(aminomethyl)-1-methyl-6,7-dihydro-5H-indazol-4-ol (CID 83906522) is 4-(aminomethyl)-1-methyl-6,7-dihydro-5H-indazol-4-ol.
What is the SMILES notation for 4-(aminomethyl)-1-methyl-6,7-dihydro-5H-indazol-4-ol?
The canonical SMILES for 4-(aminomethyl)-1-methyl-6,7-dihydro-5H-indazol-4-ol is Cn1ncc2c1CCCC2(O)CN.
What is the InChIKey of 4-(aminomethyl)-1-methyl-6,7-dihydro-5H-indazol-4-ol?
The InChIKey is CKZMHYDNKYSSBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-12-8-3-2-4-9(13,6-10)7(8)5-11-12/h5,13H,2-4,6,10H2,1H3.
What are the key properties of 4-(aminomethyl)-1-methyl-6,7-dihydro-5H-indazol-4-ol?
4-(aminomethyl)-1-methyl-6,7-dihydro-5H-indazol-4-ol has a molecular weight of 181.24 g/mol, XLogP of -0.10, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1-methyl-6,7-dihydro-5H-indazol-4-ol is sourced from PubChem (CID 83906522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).