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

C8H13ClN6 — CID 118166232

IUPAC3-(3-amino-3-methylpyrrolidin-1-yl)-6-chloro-1,2,4-triazin-5-amine
SMILESCC1(N)CCN(c2nnc(Cl)c(N)n2)C1
InChIInChI=1S/C8H13ClN6/c1-8(11)2-3-15(4-8)7-12-6(10)5(9)13-14-7/h2-4,11H2,1H3,(H2,10,12,14)
InChIKeyHAMGMUJJLUKIHZ-UHFFFAOYSA-N
MW228.69 g/mol
LogP0.03
Rot. Bonds1

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

3-(3-amino-3-methylpyrrolidin-1-yl)-6-chloro-1,2,4-triazin-5-amine (PubChem CID 118166232) has the molecular formula C8H13ClN6 and a molecular weight of 228.69 g/mol. Its IUPAC name is 3-(3-amino-3-methylpyrrolidin-1-yl)-6-chloro-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name3-(3-amino-3-methylpyrrolidin-1-yl)-6-chloro-1,2,4-triazin-5-amine
PubChem CID118166232
Molecular FormulaC8H13ClN6
Molecular Weight228.69 g/mol
Exact Mass228.09
IUPAC Name3-(3-amino-3-methylpyrrolidin-1-yl)-6-chloro-1,2,4-triazin-5-amine
SMILESCC1(N)CCN(c2nnc(Cl)c(N)n2)C1
InChIInChI=1S/C8H13ClN6/c1-8(11)2-3-15(4-8)7-12-6(10)5(9)13-14-7/h2-4,11H2,1H3,(H2,10,12,14)
InChIKeyHAMGMUJJLUKIHZ-UHFFFAOYSA-N
XLogP0.03
TPSA93.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.69
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-3-methylpyrrolidin-1-yl)-6-chloro-1,2,4-triazin-5-amine?
The IUPAC name of 3-(3-amino-3-methylpyrrolidin-1-yl)-6-chloro-1,2,4-triazin-5-amine (CID 118166232) is 3-(3-amino-3-methylpyrrolidin-1-yl)-6-chloro-1,2,4-triazin-5-amine.
What is the SMILES notation for 3-(3-amino-3-methylpyrrolidin-1-yl)-6-chloro-1,2,4-triazin-5-amine?
The canonical SMILES for 3-(3-amino-3-methylpyrrolidin-1-yl)-6-chloro-1,2,4-triazin-5-amine is CC1(N)CCN(c2nnc(Cl)c(N)n2)C1.
What is the InChIKey of 3-(3-amino-3-methylpyrrolidin-1-yl)-6-chloro-1,2,4-triazin-5-amine?
The InChIKey is HAMGMUJJLUKIHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClN6/c1-8(11)2-3-15(4-8)7-12-6(10)5(9)13-14-7/h2-4,11H2,1H3,(H2,10,12,14).
What are the key properties of 3-(3-amino-3-methylpyrrolidin-1-yl)-6-chloro-1,2,4-triazin-5-amine?
3-(3-amino-3-methylpyrrolidin-1-yl)-6-chloro-1,2,4-triazin-5-amine has a molecular weight of 228.69 g/mol, XLogP of 0.03, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-3-methylpyrrolidin-1-yl)-6-chloro-1,2,4-triazin-5-amine is sourced from PubChem (CID 118166232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).