1-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine

C13H19N5 — CID 62741180

IUPAC1-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine
SMILESCc1[nH]cnc1CNC1CCCc2c1cnn2C
InChIInChI=1S/C13H19N5/c1-9-12(16-8-15-9)7-14-11-4-3-5-13-10(11)6-17-18(13)2/h6,8,11,14H,3-5,7H2,1-2H3,(H,15,16)
InChIKeyNWXVDCACRKHBQV-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.62
Rot. Bonds3

About 1-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine

1-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine (PubChem CID 62741180) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is 1-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine.

Molecular Properties

Compound Name1-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine
PubChem CID62741180
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name1-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine
SMILESCc1[nH]cnc1CNC1CCCc2c1cnn2C
InChIInChI=1S/C13H19N5/c1-9-12(16-8-15-9)7-14-11-4-3-5-13-10(11)6-17-18(13)2/h6,8,11,14H,3-5,7H2,1-2H3,(H,15,16)
InChIKeyNWXVDCACRKHBQV-UHFFFAOYSA-N
XLogP1.62
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine?
The IUPAC name of 1-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine (CID 62741180) is 1-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine.
What is the SMILES notation for 1-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine?
The canonical SMILES for 1-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine is Cc1[nH]cnc1CNC1CCCc2c1cnn2C.
What is the InChIKey of 1-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine?
The InChIKey is NWXVDCACRKHBQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-9-12(16-8-15-9)7-14-11-4-3-5-13-10(11)6-17-18(13)2/h6,8,11,14H,3-5,7H2,1-2H3,(H,15,16).
What are the key properties of 1-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine?
1-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine has a molecular weight of 245.33 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine is sourced from PubChem (CID 62741180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).