(5R,6R)-N,6-dipropyl-4,5,6,7-tetrahydro-1H-indazol-5-amine

C13H23N3 — CID 14539778

IUPAC(5R,6R)-N,6-dipropyl-4,5,6,7-tetrahydro-1H-indazol-5-amine
SMILESCCCN[C@@H]1Cc2cn[nH]c2C[C@H]1CCC
InChIInChI=1S/C13H23N3/c1-3-5-10-7-13-11(9-15-16-13)8-12(10)14-6-4-2/h9-10,12,14H,3-8H2,1-2H3,(H,15,16)/t10-,12-/m1/s1
InChIKeyBQIVIUYIAFYMIV-ZYHUDNBSSA-N
MW221.35 g/mol
LogP2.29
Rot. Bonds5

About (5R,6R)-N,6-dipropyl-4,5,6,7-tetrahydro-1H-indazol-5-amine

(5R,6R)-N,6-dipropyl-4,5,6,7-tetrahydro-1H-indazol-5-amine (PubChem CID 14539778) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is (5R,6R)-N,6-dipropyl-4,5,6,7-tetrahydro-1H-indazol-5-amine.

Molecular Properties

Compound Name(5R,6R)-N,6-dipropyl-4,5,6,7-tetrahydro-1H-indazol-5-amine
PubChem CID14539778
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name(5R,6R)-N,6-dipropyl-4,5,6,7-tetrahydro-1H-indazol-5-amine
SMILESCCCN[C@@H]1Cc2cn[nH]c2C[C@H]1CCC
InChIInChI=1S/C13H23N3/c1-3-5-10-7-13-11(9-15-16-13)8-12(10)14-6-4-2/h9-10,12,14H,3-8H2,1-2H3,(H,15,16)/t10-,12-/m1/s1
InChIKeyBQIVIUYIAFYMIV-ZYHUDNBSSA-N
XLogP2.29
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5R,6R)-N,6-dipropyl-4,5,6,7-tetrahydro-1H-indazol-5-amine?
The IUPAC name of (5R,6R)-N,6-dipropyl-4,5,6,7-tetrahydro-1H-indazol-5-amine (CID 14539778) is (5R,6R)-N,6-dipropyl-4,5,6,7-tetrahydro-1H-indazol-5-amine.
What is the SMILES notation for (5R,6R)-N,6-dipropyl-4,5,6,7-tetrahydro-1H-indazol-5-amine?
The canonical SMILES for (5R,6R)-N,6-dipropyl-4,5,6,7-tetrahydro-1H-indazol-5-amine is CCCN[C@@H]1Cc2cn[nH]c2C[C@H]1CCC.
What is the InChIKey of (5R,6R)-N,6-dipropyl-4,5,6,7-tetrahydro-1H-indazol-5-amine?
The InChIKey is BQIVIUYIAFYMIV-ZYHUDNBSSA-N. The full InChI is InChI=1S/C13H23N3/c1-3-5-10-7-13-11(9-15-16-13)8-12(10)14-6-4-2/h9-10,12,14H,3-8H2,1-2H3,(H,15,16)/t10-,12-/m1/s1.
What are the key properties of (5R,6R)-N,6-dipropyl-4,5,6,7-tetrahydro-1H-indazol-5-amine?
(5R,6R)-N,6-dipropyl-4,5,6,7-tetrahydro-1H-indazol-5-amine has a molecular weight of 221.35 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6R)-N,6-dipropyl-4,5,6,7-tetrahydro-1H-indazol-5-amine is sourced from PubChem (CID 14539778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).