(2S)-N,N-dipropyl-1,2,3,4-tetrahydropyrido[1,2-b]indazol-2-amine

C17H25N3 — CID 10084583

IUPAC(2S)-N,N-dipropyl-1,2,3,4-tetrahydropyrido[1,2-b]indazol-2-amine
SMILESCCCN(CCC)[C@H]1CCc2nn3ccccc3c2C1
InChIInChI=1S/C17H25N3/c1-3-10-19(11-4-2)14-8-9-16-15(13-14)17-7-5-6-12-20(17)18-16/h5-7,12,14H,3-4,8-11,13H2,1-2H3/t14-/m0/s1
InChIKeyPWWITWFCENNJEP-AWEZNQCLSA-N
MW271.41 g/mol
LogP3.31
Rot. Bonds5

About (2S)-N,N-dipropyl-1,2,3,4-tetrahydropyrido[1,2-b]indazol-2-amine

(2S)-N,N-dipropyl-1,2,3,4-tetrahydropyrido[1,2-b]indazol-2-amine (PubChem CID 10084583) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is (2S)-N,N-dipropyl-1,2,3,4-tetrahydropyrido[1,2-b]indazol-2-amine.

Molecular Properties

Compound Name(2S)-N,N-dipropyl-1,2,3,4-tetrahydropyrido[1,2-b]indazol-2-amine
PubChem CID10084583
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name(2S)-N,N-dipropyl-1,2,3,4-tetrahydropyrido[1,2-b]indazol-2-amine
SMILESCCCN(CCC)[C@H]1CCc2nn3ccccc3c2C1
InChIInChI=1S/C17H25N3/c1-3-10-19(11-4-2)14-8-9-16-15(13-14)17-7-5-6-12-20(17)18-16/h5-7,12,14H,3-4,8-11,13H2,1-2H3/t14-/m0/s1
InChIKeyPWWITWFCENNJEP-AWEZNQCLSA-N
XLogP3.31
TPSA20.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-N,N-dipropyl-1,2,3,4-tetrahydropyrido[1,2-b]indazol-2-amine?
The IUPAC name of (2S)-N,N-dipropyl-1,2,3,4-tetrahydropyrido[1,2-b]indazol-2-amine (CID 10084583) is (2S)-N,N-dipropyl-1,2,3,4-tetrahydropyrido[1,2-b]indazol-2-amine.
What is the SMILES notation for (2S)-N,N-dipropyl-1,2,3,4-tetrahydropyrido[1,2-b]indazol-2-amine?
The canonical SMILES for (2S)-N,N-dipropyl-1,2,3,4-tetrahydropyrido[1,2-b]indazol-2-amine is CCCN(CCC)[C@H]1CCc2nn3ccccc3c2C1.
What is the InChIKey of (2S)-N,N-dipropyl-1,2,3,4-tetrahydropyrido[1,2-b]indazol-2-amine?
The InChIKey is PWWITWFCENNJEP-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H25N3/c1-3-10-19(11-4-2)14-8-9-16-15(13-14)17-7-5-6-12-20(17)18-16/h5-7,12,14H,3-4,8-11,13H2,1-2H3/t14-/m0/s1.
What are the key properties of (2S)-N,N-dipropyl-1,2,3,4-tetrahydropyrido[1,2-b]indazol-2-amine?
(2S)-N,N-dipropyl-1,2,3,4-tetrahydropyrido[1,2-b]indazol-2-amine has a molecular weight of 271.41 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N,N-dipropyl-1,2,3,4-tetrahydropyrido[1,2-b]indazol-2-amine is sourced from PubChem (CID 10084583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).