1-methyl-N-[(2-methylcyclopropyl)methyl]-4,5,6,7-tetrahydroindazol-4-amine

C13H21N3 — CID 115694381

IUPAC1-methyl-N-[(2-methylcyclopropyl)methyl]-4,5,6,7-tetrahydroindazol-4-amine
SMILESCC1CC1CNC1CCCc2c1cnn2C
InChIInChI=1S/C13H21N3/c1-9-6-10(9)7-14-12-4-3-5-13-11(12)8-15-16(13)2/h8-10,12,14H,3-7H2,1-2H3
InChIKeyQOMYUTSNQJHVNJ-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.04
Rot. Bonds3

About 1-methyl-N-[(2-methylcyclopropyl)methyl]-4,5,6,7-tetrahydroindazol-4-amine

1-methyl-N-[(2-methylcyclopropyl)methyl]-4,5,6,7-tetrahydroindazol-4-amine (PubChem CID 115694381) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-methyl-N-[(2-methylcyclopropyl)methyl]-4,5,6,7-tetrahydroindazol-4-amine.

Molecular Properties

Compound Name1-methyl-N-[(2-methylcyclopropyl)methyl]-4,5,6,7-tetrahydroindazol-4-amine
PubChem CID115694381
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name1-methyl-N-[(2-methylcyclopropyl)methyl]-4,5,6,7-tetrahydroindazol-4-amine
SMILESCC1CC1CNC1CCCc2c1cnn2C
InChIInChI=1S/C13H21N3/c1-9-6-10(9)7-14-12-4-3-5-13-11(12)8-15-16(13)2/h8-10,12,14H,3-7H2,1-2H3
InChIKeyQOMYUTSNQJHVNJ-UHFFFAOYSA-N
XLogP2.04
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(2-methylcyclopropyl)methyl]-4,5,6,7-tetrahydroindazol-4-amine?
The IUPAC name of 1-methyl-N-[(2-methylcyclopropyl)methyl]-4,5,6,7-tetrahydroindazol-4-amine (CID 115694381) is 1-methyl-N-[(2-methylcyclopropyl)methyl]-4,5,6,7-tetrahydroindazol-4-amine.
What is the SMILES notation for 1-methyl-N-[(2-methylcyclopropyl)methyl]-4,5,6,7-tetrahydroindazol-4-amine?
The canonical SMILES for 1-methyl-N-[(2-methylcyclopropyl)methyl]-4,5,6,7-tetrahydroindazol-4-amine is CC1CC1CNC1CCCc2c1cnn2C.
What is the InChIKey of 1-methyl-N-[(2-methylcyclopropyl)methyl]-4,5,6,7-tetrahydroindazol-4-amine?
The InChIKey is QOMYUTSNQJHVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-9-6-10(9)7-14-12-4-3-5-13-11(12)8-15-16(13)2/h8-10,12,14H,3-7H2,1-2H3.
What are the key properties of 1-methyl-N-[(2-methylcyclopropyl)methyl]-4,5,6,7-tetrahydroindazol-4-amine?
1-methyl-N-[(2-methylcyclopropyl)methyl]-4,5,6,7-tetrahydroindazol-4-amine has a molecular weight of 219.33 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(2-methylcyclopropyl)methyl]-4,5,6,7-tetrahydroindazol-4-amine is sourced from PubChem (CID 115694381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).