4-chloro-N-(furan-3-ylmethyl)-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine

C12H11ClN6O — CID 62865121

IUPAC4-chloro-N-(furan-3-ylmethyl)-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
SMILESCN(Cc1ccoc1)c1nc(Cl)nc(-n2cccn2)n1
InChIInChI=1S/C12H11ClN6O/c1-18(7-9-3-6-20-8-9)11-15-10(13)16-12(17-11)19-5-2-4-14-19/h2-6,8H,7H2,1H3
InChIKeyMBQXGQNFENAAAX-UHFFFAOYSA-N
MW290.71 g/mol
LogP1.94
Rot. Bonds4

About 4-chloro-N-(furan-3-ylmethyl)-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine

4-chloro-N-(furan-3-ylmethyl)-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine (PubChem CID 62865121) has the molecular formula C12H11ClN6O and a molecular weight of 290.71 g/mol. Its IUPAC name is 4-chloro-N-(furan-3-ylmethyl)-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-(furan-3-ylmethyl)-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
PubChem CID62865121
Molecular FormulaC12H11ClN6O
Molecular Weight290.71 g/mol
Exact Mass290.07
IUPAC Name4-chloro-N-(furan-3-ylmethyl)-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
SMILESCN(Cc1ccoc1)c1nc(Cl)nc(-n2cccn2)n1
InChIInChI=1S/C12H11ClN6O/c1-18(7-9-3-6-20-8-9)11-15-10(13)16-12(17-11)19-5-2-4-14-19/h2-6,8H,7H2,1H3
InChIKeyMBQXGQNFENAAAX-UHFFFAOYSA-N
XLogP1.94
TPSA72.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.71
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(furan-3-ylmethyl)-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-(furan-3-ylmethyl)-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine (CID 62865121) is 4-chloro-N-(furan-3-ylmethyl)-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-(furan-3-ylmethyl)-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-(furan-3-ylmethyl)-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine is CN(Cc1ccoc1)c1nc(Cl)nc(-n2cccn2)n1.
What is the InChIKey of 4-chloro-N-(furan-3-ylmethyl)-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The InChIKey is MBQXGQNFENAAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN6O/c1-18(7-9-3-6-20-8-9)11-15-10(13)16-12(17-11)19-5-2-4-14-19/h2-6,8H,7H2,1H3.
What are the key properties of 4-chloro-N-(furan-3-ylmethyl)-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
4-chloro-N-(furan-3-ylmethyl)-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine has a molecular weight of 290.71 g/mol, XLogP of 1.94, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(furan-3-ylmethyl)-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 62865121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).