3-(3-aminopyrrolidin-1-yl)-6-chloro-1,2,4-triazin-5-amine

C7H11ClN6 — CID 126643371

IUPAC3-(3-aminopyrrolidin-1-yl)-6-chloro-1,2,4-triazin-5-amine
SMILESNc1nc(N2CCC(N)C2)nnc1Cl
InChIInChI=1S/C7H11ClN6/c8-5-6(10)11-7(13-12-5)14-2-1-4(9)3-14/h4H,1-3,9H2,(H2,10,11,13)
InChIKeyINRISABFJVNQBD-UHFFFAOYSA-N
MW214.66 g/mol
LogP-0.36
Rot. Bonds1

About 3-(3-aminopyrrolidin-1-yl)-6-chloro-1,2,4-triazin-5-amine

3-(3-aminopyrrolidin-1-yl)-6-chloro-1,2,4-triazin-5-amine (PubChem CID 126643371) has the molecular formula C7H11ClN6 and a molecular weight of 214.66 g/mol. Its IUPAC name is 3-(3-aminopyrrolidin-1-yl)-6-chloro-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name3-(3-aminopyrrolidin-1-yl)-6-chloro-1,2,4-triazin-5-amine
PubChem CID126643371
Molecular FormulaC7H11ClN6
Molecular Weight214.66 g/mol
Exact Mass214.07
IUPAC Name3-(3-aminopyrrolidin-1-yl)-6-chloro-1,2,4-triazin-5-amine
SMILESNc1nc(N2CCC(N)C2)nnc1Cl
InChIInChI=1S/C7H11ClN6/c8-5-6(10)11-7(13-12-5)14-2-1-4(9)3-14/h4H,1-3,9H2,(H2,10,11,13)
InChIKeyINRISABFJVNQBD-UHFFFAOYSA-N
XLogP-0.36
TPSA93.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.66
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3-aminopyrrolidin-1-yl)-6-chloro-1,2,4-triazin-5-amine?
The IUPAC name of 3-(3-aminopyrrolidin-1-yl)-6-chloro-1,2,4-triazin-5-amine (CID 126643371) is 3-(3-aminopyrrolidin-1-yl)-6-chloro-1,2,4-triazin-5-amine.
What is the SMILES notation for 3-(3-aminopyrrolidin-1-yl)-6-chloro-1,2,4-triazin-5-amine?
The canonical SMILES for 3-(3-aminopyrrolidin-1-yl)-6-chloro-1,2,4-triazin-5-amine is Nc1nc(N2CCC(N)C2)nnc1Cl.
What is the InChIKey of 3-(3-aminopyrrolidin-1-yl)-6-chloro-1,2,4-triazin-5-amine?
The InChIKey is INRISABFJVNQBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClN6/c8-5-6(10)11-7(13-12-5)14-2-1-4(9)3-14/h4H,1-3,9H2,(H2,10,11,13).
What are the key properties of 3-(3-aminopyrrolidin-1-yl)-6-chloro-1,2,4-triazin-5-amine?
3-(3-aminopyrrolidin-1-yl)-6-chloro-1,2,4-triazin-5-amine has a molecular weight of 214.66 g/mol, XLogP of -0.36, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminopyrrolidin-1-yl)-6-chloro-1,2,4-triazin-5-amine is sourced from PubChem (CID 126643371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).