4-(1H-pyrazolo[5,4-c]pyridin-4-yl)but-3-yn-1-amine;dihydrochloride

C10H12Cl2N4 — CID 178024562

IUPAC4-(1H-pyrazolo[5,4-c]pyridin-4-yl)but-3-yn-1-amine;dihydrochloride
SMILESCl.Cl.NCCC#Cc1cncc2[nH]ncc12
InChIInChI=1S/C10H10N4.2ClH/c11-4-2-1-3-8-5-12-7-10-9(8)6-13-14-10;;/h5-7H,2,4,11H2,(H,13,14);2*1H
InChIKeySHPLVNONSYYJDX-UHFFFAOYSA-N
MW259.14 g/mol
LogP1.50
Rot. Bonds1

About 4-(1H-pyrazolo[5,4-c]pyridin-4-yl)but-3-yn-1-amine;dihydrochloride

4-(1H-pyrazolo[5,4-c]pyridin-4-yl)but-3-yn-1-amine;dihydrochloride (PubChem CID 178024562) has the molecular formula C10H12Cl2N4 and a molecular weight of 259.14 g/mol. Its IUPAC name is 4-(1H-pyrazolo[5,4-c]pyridin-4-yl)but-3-yn-1-amine;dihydrochloride.

Molecular Properties

Compound Name4-(1H-pyrazolo[5,4-c]pyridin-4-yl)but-3-yn-1-amine;dihydrochloride
PubChem CID178024562
Molecular FormulaC10H12Cl2N4
Molecular Weight259.14 g/mol
Exact Mass258.04
IUPAC Name4-(1H-pyrazolo[5,4-c]pyridin-4-yl)but-3-yn-1-amine;dihydrochloride
SMILESCl.Cl.NCCC#Cc1cncc2[nH]ncc12
InChIInChI=1S/C10H10N4.2ClH/c11-4-2-1-3-8-5-12-7-10-9(8)6-13-14-10;;/h5-7H,2,4,11H2,(H,13,14);2*1H
InChIKeySHPLVNONSYYJDX-UHFFFAOYSA-N
XLogP1.50
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.14
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-pyrazolo[5,4-c]pyridin-4-yl)but-3-yn-1-amine;dihydrochloride?
The IUPAC name of 4-(1H-pyrazolo[5,4-c]pyridin-4-yl)but-3-yn-1-amine;dihydrochloride (CID 178024562) is 4-(1H-pyrazolo[5,4-c]pyridin-4-yl)but-3-yn-1-amine;dihydrochloride.
What is the SMILES notation for 4-(1H-pyrazolo[5,4-c]pyridin-4-yl)but-3-yn-1-amine;dihydrochloride?
The canonical SMILES for 4-(1H-pyrazolo[5,4-c]pyridin-4-yl)but-3-yn-1-amine;dihydrochloride is Cl.Cl.NCCC#Cc1cncc2[nH]ncc12.
What is the InChIKey of 4-(1H-pyrazolo[5,4-c]pyridin-4-yl)but-3-yn-1-amine;dihydrochloride?
The InChIKey is SHPLVNONSYYJDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4.2ClH/c11-4-2-1-3-8-5-12-7-10-9(8)6-13-14-10;;/h5-7H,2,4,11H2,(H,13,14);2*1H.
What are the key properties of 4-(1H-pyrazolo[5,4-c]pyridin-4-yl)but-3-yn-1-amine;dihydrochloride?
4-(1H-pyrazolo[5,4-c]pyridin-4-yl)but-3-yn-1-amine;dihydrochloride has a molecular weight of 259.14 g/mol, XLogP of 1.50, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-pyrazolo[5,4-c]pyridin-4-yl)but-3-yn-1-amine;dihydrochloride is sourced from PubChem (CID 178024562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).