6-hydrazinyl-4-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-2,4-diamine

C9H15N9 — CID 80926867

IUPAC6-hydrazinyl-4-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-2,4-diamine
SMILESCn1cnc(CCNc2cc(NN)nc(N)n2)n1
InChIInChI=1S/C9H15N9/c1-18-5-13-6(17-18)2-3-12-7-4-8(16-11)15-9(10)14-7/h4-5H,2-3,11H2,1H3,(H4,10,12,14,15,16)
InChIKeyJIIXQTRGZAEFGC-UHFFFAOYSA-N
MW249.28 g/mol
LogP-0.87
Rot. Bonds5

About 6-hydrazinyl-4-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-2,4-diamine

6-hydrazinyl-4-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-2,4-diamine (PubChem CID 80926867) has the molecular formula C9H15N9 and a molecular weight of 249.28 g/mol. Its IUPAC name is 6-hydrazinyl-4-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-hydrazinyl-4-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-2,4-diamine
PubChem CID80926867
Molecular FormulaC9H15N9
Molecular Weight249.28 g/mol
Exact Mass249.15
IUPAC Name6-hydrazinyl-4-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-2,4-diamine
SMILESCn1cnc(CCNc2cc(NN)nc(N)n2)n1
InChIInChI=1S/C9H15N9/c1-18-5-13-6(17-18)2-3-12-7-4-8(16-11)15-9(10)14-7/h4-5H,2-3,11H2,1H3,(H4,10,12,14,15,16)
InChIKeyJIIXQTRGZAEFGC-UHFFFAOYSA-N
XLogP-0.87
TPSA132.59 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 5-0.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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 6-hydrazinyl-4-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-2,4-diamine?
The IUPAC name of 6-hydrazinyl-4-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-2,4-diamine (CID 80926867) is 6-hydrazinyl-4-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-hydrazinyl-4-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-2,4-diamine?
The canonical SMILES for 6-hydrazinyl-4-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-2,4-diamine is Cn1cnc(CCNc2cc(NN)nc(N)n2)n1.
What is the InChIKey of 6-hydrazinyl-4-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-2,4-diamine?
The InChIKey is JIIXQTRGZAEFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N9/c1-18-5-13-6(17-18)2-3-12-7-4-8(16-11)15-9(10)14-7/h4-5H,2-3,11H2,1H3,(H4,10,12,14,15,16).
What are the key properties of 6-hydrazinyl-4-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-2,4-diamine?
6-hydrazinyl-4-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-2,4-diamine has a molecular weight of 249.28 g/mol, XLogP of -0.87, 5 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-4-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 80926867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).