2-N-pyrrolidin-3-yl-1,3,5-triazine-2,4,6-triamine

C7H13N7 — CID 123291458

IUPAC2-N-pyrrolidin-3-yl-1,3,5-triazine-2,4,6-triamine
SMILESNc1nc(N)nc(NC2CCNC2)n1
InChIInChI=1S/C7H13N7/c8-5-12-6(9)14-7(13-5)11-4-1-2-10-3-4/h4,10H,1-3H2,(H5,8,9,11,12,13,14)
InChIKeyKDDTUYQPSKWJON-UHFFFAOYSA-N
MW195.23 g/mol
LogP-1.19
Rot. Bonds2

About 2-N-pyrrolidin-3-yl-1,3,5-triazine-2,4,6-triamine

2-N-pyrrolidin-3-yl-1,3,5-triazine-2,4,6-triamine (PubChem CID 123291458) has the molecular formula C7H13N7 and a molecular weight of 195.23 g/mol. Its IUPAC name is 2-N-pyrrolidin-3-yl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N-pyrrolidin-3-yl-1,3,5-triazine-2,4,6-triamine
PubChem CID123291458
Molecular FormulaC7H13N7
Molecular Weight195.23 g/mol
Exact Mass195.12
IUPAC Name2-N-pyrrolidin-3-yl-1,3,5-triazine-2,4,6-triamine
SMILESNc1nc(N)nc(NC2CCNC2)n1
InChIInChI=1S/C7H13N7/c8-5-12-6(9)14-7(13-5)11-4-1-2-10-3-4/h4,10H,1-3H2,(H5,8,9,11,12,13,14)
InChIKeyKDDTUYQPSKWJON-UHFFFAOYSA-N
XLogP-1.19
TPSA114.77 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.23
LogP ≤ 5-1.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-N-pyrrolidin-3-yl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N-pyrrolidin-3-yl-1,3,5-triazine-2,4,6-triamine (CID 123291458) is 2-N-pyrrolidin-3-yl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N-pyrrolidin-3-yl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N-pyrrolidin-3-yl-1,3,5-triazine-2,4,6-triamine is Nc1nc(N)nc(NC2CCNC2)n1.
What is the InChIKey of 2-N-pyrrolidin-3-yl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is KDDTUYQPSKWJON-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N7/c8-5-12-6(9)14-7(13-5)11-4-1-2-10-3-4/h4,10H,1-3H2,(H5,8,9,11,12,13,14).
What are the key properties of 2-N-pyrrolidin-3-yl-1,3,5-triazine-2,4,6-triamine?
2-N-pyrrolidin-3-yl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 195.23 g/mol, XLogP of -1.19, 2 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-pyrrolidin-3-yl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 123291458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).