N-propyl-4,5,6,7-tetrahydro-1H-indazol-5-amine

C10H17N3 — CID 14539719

IUPACN-propyl-4,5,6,7-tetrahydro-1H-indazol-5-amine
SMILESCCCNC1CCc2[nH]ncc2C1
InChIInChI=1S/C10H17N3/c1-2-5-11-9-3-4-10-8(6-9)7-12-13-10/h7,9,11H,2-6H2,1H3,(H,12,13)
InChIKeyPYXYUOJSCYNCKM-UHFFFAOYSA-N
MW179.27 g/mol
LogP1.27
Rot. Bonds3

About N-propyl-4,5,6,7-tetrahydro-1H-indazol-5-amine

N-propyl-4,5,6,7-tetrahydro-1H-indazol-5-amine (PubChem CID 14539719) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is N-propyl-4,5,6,7-tetrahydro-1H-indazol-5-amine.

Molecular Properties

Compound NameN-propyl-4,5,6,7-tetrahydro-1H-indazol-5-amine
PubChem CID14539719
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC NameN-propyl-4,5,6,7-tetrahydro-1H-indazol-5-amine
SMILESCCCNC1CCc2[nH]ncc2C1
InChIInChI=1S/C10H17N3/c1-2-5-11-9-3-4-10-8(6-9)7-12-13-10/h7,9,11H,2-6H2,1H3,(H,12,13)
InChIKeyPYXYUOJSCYNCKM-UHFFFAOYSA-N
XLogP1.27
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-propyl-4,5,6,7-tetrahydro-1H-indazol-5-amine?
The IUPAC name of N-propyl-4,5,6,7-tetrahydro-1H-indazol-5-amine (CID 14539719) is N-propyl-4,5,6,7-tetrahydro-1H-indazol-5-amine.
What is the SMILES notation for N-propyl-4,5,6,7-tetrahydro-1H-indazol-5-amine?
The canonical SMILES for N-propyl-4,5,6,7-tetrahydro-1H-indazol-5-amine is CCCNC1CCc2[nH]ncc2C1.
What is the InChIKey of N-propyl-4,5,6,7-tetrahydro-1H-indazol-5-amine?
The InChIKey is PYXYUOJSCYNCKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-2-5-11-9-3-4-10-8(6-9)7-12-13-10/h7,9,11H,2-6H2,1H3,(H,12,13).
What are the key properties of N-propyl-4,5,6,7-tetrahydro-1H-indazol-5-amine?
N-propyl-4,5,6,7-tetrahydro-1H-indazol-5-amine has a molecular weight of 179.27 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-4,5,6,7-tetrahydro-1H-indazol-5-amine is sourced from PubChem (CID 14539719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).