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

C9H16N6 — CID 134547255

IUPAC4-[amino(1H-pyrazol-5-yl)amino]-2-methyl-1,2,3,6-tetrahydropyridin-5-amine
SMILESCC1CC(N(N)c2ccn[nH]2)=C(N)CN1
InChIInChI=1S/C9H16N6/c1-6-4-8(7(10)5-12-6)15(11)9-2-3-13-14-9/h2-3,6,12H,4-5,10-11H2,1H3,(H,13,14)
InChIKeyKAVIKOGEAJWBOO-UHFFFAOYSA-N
MW208.27 g/mol
LogP-0.36
Rot. Bonds2

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

4-[amino(1H-pyrazol-5-yl)amino]-2-methyl-1,2,3,6-tetrahydropyridin-5-amine (PubChem CID 134547255) has the molecular formula C9H16N6 and a molecular weight of 208.27 g/mol. Its IUPAC name is 4-[amino(1H-pyrazol-5-yl)amino]-2-methyl-1,2,3,6-tetrahydropyridin-5-amine.

Molecular Properties

Compound Name4-[amino(1H-pyrazol-5-yl)amino]-2-methyl-1,2,3,6-tetrahydropyridin-5-amine
PubChem CID134547255
Molecular FormulaC9H16N6
Molecular Weight208.27 g/mol
Exact Mass208.14
IUPAC Name4-[amino(1H-pyrazol-5-yl)amino]-2-methyl-1,2,3,6-tetrahydropyridin-5-amine
SMILESCC1CC(N(N)c2ccn[nH]2)=C(N)CN1
InChIInChI=1S/C9H16N6/c1-6-4-8(7(10)5-12-6)15(11)9-2-3-13-14-9/h2-3,6,12H,4-5,10-11H2,1H3,(H,13,14)
InChIKeyKAVIKOGEAJWBOO-UHFFFAOYSA-N
XLogP-0.36
TPSA95.99 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.27
LogP ≤ 5-0.36
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]-2-methyl-1,2,3,6-tetrahydropyridin-5-amine?
The IUPAC name of 4-[amino(1H-pyrazol-5-yl)amino]-2-methyl-1,2,3,6-tetrahydropyridin-5-amine (CID 134547255) is 4-[amino(1H-pyrazol-5-yl)amino]-2-methyl-1,2,3,6-tetrahydropyridin-5-amine.
What is the SMILES notation for 4-[amino(1H-pyrazol-5-yl)amino]-2-methyl-1,2,3,6-tetrahydropyridin-5-amine?
The canonical SMILES for 4-[amino(1H-pyrazol-5-yl)amino]-2-methyl-1,2,3,6-tetrahydropyridin-5-amine is CC1CC(N(N)c2ccn[nH]2)=C(N)CN1.
What is the InChIKey of 4-[amino(1H-pyrazol-5-yl)amino]-2-methyl-1,2,3,6-tetrahydropyridin-5-amine?
The InChIKey is KAVIKOGEAJWBOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N6/c1-6-4-8(7(10)5-12-6)15(11)9-2-3-13-14-9/h2-3,6,12H,4-5,10-11H2,1H3,(H,13,14).
What are the key properties of 4-[amino(1H-pyrazol-5-yl)amino]-2-methyl-1,2,3,6-tetrahydropyridin-5-amine?
4-[amino(1H-pyrazol-5-yl)amino]-2-methyl-1,2,3,6-tetrahydropyridin-5-amine has a molecular weight of 208.27 g/mol, XLogP of -0.36, 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]-2-methyl-1,2,3,6-tetrahydropyridin-5-amine is sourced from PubChem (CID 134547255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).