1-propan-2-yl-N-propyl-4,5,6,7-tetrahydroindazol-4-amine

C13H23N3 — CID 65356403

IUPAC1-propan-2-yl-N-propyl-4,5,6,7-tetrahydroindazol-4-amine
SMILESCCCNC1CCCc2c1cnn2C(C)C
InChIInChI=1S/C13H23N3/c1-4-8-14-12-6-5-7-13-11(12)9-15-16(13)10(2)3/h9-10,12,14H,4-8H2,1-3H3
InChIKeyHFTXSBPHHRABJJ-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.84
Rot. Bonds4

About 1-propan-2-yl-N-propyl-4,5,6,7-tetrahydroindazol-4-amine

1-propan-2-yl-N-propyl-4,5,6,7-tetrahydroindazol-4-amine (PubChem CID 65356403) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 1-propan-2-yl-N-propyl-4,5,6,7-tetrahydroindazol-4-amine.

Molecular Properties

Compound Name1-propan-2-yl-N-propyl-4,5,6,7-tetrahydroindazol-4-amine
PubChem CID65356403
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name1-propan-2-yl-N-propyl-4,5,6,7-tetrahydroindazol-4-amine
SMILESCCCNC1CCCc2c1cnn2C(C)C
InChIInChI=1S/C13H23N3/c1-4-8-14-12-6-5-7-13-11(12)9-15-16(13)10(2)3/h9-10,12,14H,4-8H2,1-3H3
InChIKeyHFTXSBPHHRABJJ-UHFFFAOYSA-N
XLogP2.84
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-N-propyl-4,5,6,7-tetrahydroindazol-4-amine?
The IUPAC name of 1-propan-2-yl-N-propyl-4,5,6,7-tetrahydroindazol-4-amine (CID 65356403) is 1-propan-2-yl-N-propyl-4,5,6,7-tetrahydroindazol-4-amine.
What is the SMILES notation for 1-propan-2-yl-N-propyl-4,5,6,7-tetrahydroindazol-4-amine?
The canonical SMILES for 1-propan-2-yl-N-propyl-4,5,6,7-tetrahydroindazol-4-amine is CCCNC1CCCc2c1cnn2C(C)C.
What is the InChIKey of 1-propan-2-yl-N-propyl-4,5,6,7-tetrahydroindazol-4-amine?
The InChIKey is HFTXSBPHHRABJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-4-8-14-12-6-5-7-13-11(12)9-15-16(13)10(2)3/h9-10,12,14H,4-8H2,1-3H3.
What are the key properties of 1-propan-2-yl-N-propyl-4,5,6,7-tetrahydroindazol-4-amine?
1-propan-2-yl-N-propyl-4,5,6,7-tetrahydroindazol-4-amine has a molecular weight of 221.35 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-N-propyl-4,5,6,7-tetrahydroindazol-4-amine is sourced from PubChem (CID 65356403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).