4-[amino(1H-pyrazol-5-yl)amino]-1,2,3,6-tetrahydropyridin-5-amine

C8H14N6 — CID 129153187

IUPAC4-[amino(1H-pyrazol-5-yl)amino]-1,2,3,6-tetrahydropyridin-5-amine
SMILESNC1=C(N(N)c2ccn[nH]2)CCNC1
InChIInChI=1S/C8H14N6/c9-6-5-11-3-1-7(6)14(10)8-2-4-12-13-8/h2,4,11H,1,3,5,9-10H2,(H,12,13)
InChIKeyVGWCFSHPIKURGK-UHFFFAOYSA-N
MW194.24 g/mol
LogP-0.75
Rot. Bonds2

About 4-[amino(1H-pyrazol-5-yl)amino]-1,2,3,6-tetrahydropyridin-5-amine

4-[amino(1H-pyrazol-5-yl)amino]-1,2,3,6-tetrahydropyridin-5-amine (PubChem CID 129153187) has the molecular formula C8H14N6 and a molecular weight of 194.24 g/mol. Its IUPAC name is 4-[amino(1H-pyrazol-5-yl)amino]-1,2,3,6-tetrahydropyridin-5-amine.

Molecular Properties

Compound Name4-[amino(1H-pyrazol-5-yl)amino]-1,2,3,6-tetrahydropyridin-5-amine
PubChem CID129153187
Molecular FormulaC8H14N6
Molecular Weight194.24 g/mol
Exact Mass194.13
IUPAC Name4-[amino(1H-pyrazol-5-yl)amino]-1,2,3,6-tetrahydropyridin-5-amine
SMILESNC1=C(N(N)c2ccn[nH]2)CCNC1
InChIInChI=1S/C8H14N6/c9-6-5-11-3-1-7(6)14(10)8-2-4-12-13-8/h2,4,11H,1,3,5,9-10H2,(H,12,13)
InChIKeyVGWCFSHPIKURGK-UHFFFAOYSA-N
XLogP-0.75
TPSA95.99 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 5-0.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[amino(1H-pyrazol-5-yl)amino]-1,2,3,6-tetrahydropyridin-5-amine?
The IUPAC name of 4-[amino(1H-pyrazol-5-yl)amino]-1,2,3,6-tetrahydropyridin-5-amine (CID 129153187) is 4-[amino(1H-pyrazol-5-yl)amino]-1,2,3,6-tetrahydropyridin-5-amine.
What is the SMILES notation for 4-[amino(1H-pyrazol-5-yl)amino]-1,2,3,6-tetrahydropyridin-5-amine?
The canonical SMILES for 4-[amino(1H-pyrazol-5-yl)amino]-1,2,3,6-tetrahydropyridin-5-amine is NC1=C(N(N)c2ccn[nH]2)CCNC1.
What is the InChIKey of 4-[amino(1H-pyrazol-5-yl)amino]-1,2,3,6-tetrahydropyridin-5-amine?
The InChIKey is VGWCFSHPIKURGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N6/c9-6-5-11-3-1-7(6)14(10)8-2-4-12-13-8/h2,4,11H,1,3,5,9-10H2,(H,12,13).
What are the key properties of 4-[amino(1H-pyrazol-5-yl)amino]-1,2,3,6-tetrahydropyridin-5-amine?
4-[amino(1H-pyrazol-5-yl)amino]-1,2,3,6-tetrahydropyridin-5-amine has a molecular weight of 194.24 g/mol, XLogP of -0.75, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[amino(1H-pyrazol-5-yl)amino]-1,2,3,6-tetrahydropyridin-5-amine is sourced from PubChem (CID 129153187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).