5-chloro-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]pyrimidin-2-amine

C11H13ClN6 — CID 75517708

IUPAC5-chloro-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]pyrimidin-2-amine
SMILESCC(Nc1ncc(Cl)cn1)c1nnc2n1CCC2
InChIInChI=1S/C11H13ClN6/c1-7(15-11-13-5-8(12)6-14-11)10-17-16-9-3-2-4-18(9)10/h5-7H,2-4H2,1H3,(H,13,14,15)
InChIKeyREADBCAAVQNEEL-UHFFFAOYSA-N
MW264.72 g/mol
LogP1.84
Rot. Bonds3

About 5-chloro-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]pyrimidin-2-amine

5-chloro-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]pyrimidin-2-amine (PubChem CID 75517708) has the molecular formula C11H13ClN6 and a molecular weight of 264.72 g/mol. Its IUPAC name is 5-chloro-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]pyrimidin-2-amine
PubChem CID75517708
Molecular FormulaC11H13ClN6
Molecular Weight264.72 g/mol
Exact Mass264.09
IUPAC Name5-chloro-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]pyrimidin-2-amine
SMILESCC(Nc1ncc(Cl)cn1)c1nnc2n1CCC2
InChIInChI=1S/C11H13ClN6/c1-7(15-11-13-5-8(12)6-14-11)10-17-16-9-3-2-4-18(9)10/h5-7H,2-4H2,1H3,(H,13,14,15)
InChIKeyREADBCAAVQNEEL-UHFFFAOYSA-N
XLogP1.84
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.72
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]pyrimidin-2-amine?
The IUPAC name of 5-chloro-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]pyrimidin-2-amine (CID 75517708) is 5-chloro-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]pyrimidin-2-amine.
What is the SMILES notation for 5-chloro-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]pyrimidin-2-amine?
The canonical SMILES for 5-chloro-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]pyrimidin-2-amine is CC(Nc1ncc(Cl)cn1)c1nnc2n1CCC2.
What is the InChIKey of 5-chloro-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]pyrimidin-2-amine?
The InChIKey is READBCAAVQNEEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN6/c1-7(15-11-13-5-8(12)6-14-11)10-17-16-9-3-2-4-18(9)10/h5-7H,2-4H2,1H3,(H,13,14,15).
What are the key properties of 5-chloro-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]pyrimidin-2-amine?
5-chloro-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]pyrimidin-2-amine has a molecular weight of 264.72 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]pyrimidin-2-amine is sourced from PubChem (CID 75517708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).