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

C10H17N3O — CID 112715397

IUPAC4-(aminomethyl)-1,5-dimethyl-6,7-dihydro-5H-indazol-4-ol
SMILESCC1CCc2c(cnn2C)C1(O)CN
InChIInChI=1S/C10H17N3O/c1-7-3-4-9-8(5-12-13(9)2)10(7,14)6-11/h5,7,14H,3-4,6,11H2,1-2H3
InChIKeyPGZNBRMKEWGDNI-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.15
Rot. Bonds1

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

4-(aminomethyl)-1,5-dimethyl-6,7-dihydro-5H-indazol-4-ol (PubChem CID 112715397) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 4-(aminomethyl)-1,5-dimethyl-6,7-dihydro-5H-indazol-4-ol.

Molecular Properties

Compound Name4-(aminomethyl)-1,5-dimethyl-6,7-dihydro-5H-indazol-4-ol
PubChem CID112715397
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name4-(aminomethyl)-1,5-dimethyl-6,7-dihydro-5H-indazol-4-ol
SMILESCC1CCc2c(cnn2C)C1(O)CN
InChIInChI=1S/C10H17N3O/c1-7-3-4-9-8(5-12-13(9)2)10(7,14)6-11/h5,7,14H,3-4,6,11H2,1-2H3
InChIKeyPGZNBRMKEWGDNI-UHFFFAOYSA-N
XLogP0.15
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1,5-dimethyl-6,7-dihydro-5H-indazol-4-ol?
The IUPAC name of 4-(aminomethyl)-1,5-dimethyl-6,7-dihydro-5H-indazol-4-ol (CID 112715397) is 4-(aminomethyl)-1,5-dimethyl-6,7-dihydro-5H-indazol-4-ol.
What is the SMILES notation for 4-(aminomethyl)-1,5-dimethyl-6,7-dihydro-5H-indazol-4-ol?
The canonical SMILES for 4-(aminomethyl)-1,5-dimethyl-6,7-dihydro-5H-indazol-4-ol is CC1CCc2c(cnn2C)C1(O)CN.
What is the InChIKey of 4-(aminomethyl)-1,5-dimethyl-6,7-dihydro-5H-indazol-4-ol?
The InChIKey is PGZNBRMKEWGDNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-7-3-4-9-8(5-12-13(9)2)10(7,14)6-11/h5,7,14H,3-4,6,11H2,1-2H3.
What are the key properties of 4-(aminomethyl)-1,5-dimethyl-6,7-dihydro-5H-indazol-4-ol?
4-(aminomethyl)-1,5-dimethyl-6,7-dihydro-5H-indazol-4-ol has a molecular weight of 195.27 g/mol, XLogP of 0.15, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1,5-dimethyl-6,7-dihydro-5H-indazol-4-ol is sourced from PubChem (CID 112715397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).